≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| ALogP | 4.051 |
|---|---|
| hba_count | 4 |
| HBD Count | 3 |
| Rotatable Bond | 7 |
| Pubchem Sid | 488202699 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488202699 |
| Canonical Smiles | C=CC(=O)NC1=CC2=C(C=C1)NC(=O)N2C3CCN(CC3)CC4=CC=C(C=C4)C5=C(C=C6C(=N5)C=CNC6=O)C7=CC=CC=C7 |
| IUPAC Name | N-[2-oxo-3-[1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-5-yl]prop-2-enamide |
| InChIKey | HXBRBOYWXDLHDC-UHFFFAOYSA-N |
| INCHI | 1S/C36H32N6O3/c1-2-33(43)38-26-12-13-31-32(20-26)42(36(45)40-31)27-15-18-41(19-16-27)22-23-8-10-25(11-9-23)34-28(24-6-4-3-5-7-24)21-29-30(39-34)14-17-37-35(29)44/h2-14,17,20-21,27H,1,15-16,18-19,22H2,(H,37,44)(H,38,43)(H,40,45) |
| Isomeric SMILES | C=CC(=O)NC1=CC2=C(C=C1)NC(=O)N2C3CCN(CC3)CC4=CC=C(C=C4)C5=C(C=C6C(=N5)C=CNC6=O)C7=CC=CC=C7 |
| Molecular Weight | 596.68 |
| Reaxy-Rn | 28437931 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28437931&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Piperidines |
| Subclass | Benzylpiperidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-benzylpiperidines |
| Alternative Parents | Phenylpyridines Naphthyridines Benzimidazoles Phenylmethylamines N-arylamides Benzylamines Pyridinones Dihydropyridines Aralkylamines N-substituted imidazoles N-acyl amines Imidazolidinones Secondary ketimines Heteroaromatic compounds Trialkylamines Organic carbonic acids and derivatives Lactams Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | N-benzylpiperidine - 3-phenylpyridine - 2-phenylpyridine - Diazanaphthalene - Naphthyridine - Benzimidazole - N-arylamide - Phenylmethylamine - Benzylamine - Aralkylamine - Pyridinone - Dihydropyridine - Benzenoid - Pyridine - N-substituted imidazole - N-acyl-amine - Imidazolidinone - Monocyclic benzene moiety - Heteroaromatic compound - Secondary ketimine - Imidazolidine - Imidazole - Azole - Tertiary aliphatic amine - Tertiary amine - Carbonic acid derivative - Lactam - Ketimine - Carboxamide group - Amino acid or derivatives - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Imine - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom. |
| External Descriptors | Not available |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 C2323395 | Certificate of Analysis | Jan 19, 2026 | B414212 |
| C2323415 | Certificate of Analysis | Jan 19, 2026 | B414212 |
| C2323434 | Certificate of Analysis | Jan 19, 2026 | B414212 |
| C2323470 | Certificate of Analysis | Jan 19, 2026 | B414212 |
| C2323522 | Certificate of Analysis | Jan 19, 2026 | B414212 |
| C2323692 | Certificate of Analysis | Jan 19, 2026 | B414212 |
| C2323700 | Certificate of Analysis | Jan 19, 2026 | B414212 |
| C2323748 | Certificate of Analysis | Jan 19, 2026 | B414212 |
| C2323990 | Certificate of Analysis | Jan 19, 2026 | B414212 |
| C2323376 | Certificate of Analysis | Feb 08, 2023 | B414212 |
| C2323699 | Certificate of Analysis | Feb 08, 2023 | B414212 |
| Solubility | Solubility (25°C) In vitro DMSO: 100 mg/mL (167.59 mM); Water: Insoluble; Ethanol: Insoluble; |
|---|---|
| DMSO(mg / mL) Max Solubility | 100 |
| DMSO(mM) Max Solubility | 167.594020245358 |
| Water(mg / mL) Max Solubility | ＜1 |
| Molecular Weight | 596.700 g/mol |
| XLogP3 | 4.300 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 596.254 Da |
| Monoisotopic Mass | 596.254 Da |
| Topological Polar Surface Area | 107.000 Ų |
| Heavy Atom Count | 45 |
| Formal Charge | 0 |
| Complexity | 1120.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
