for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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.
| Canonical Smiles | CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)N3CCN(CC3)C |
|---|---|
| IUPAC Name | ethyl 2-[(4-methylpiperazine-1-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| InChIKey | GPHILACXNMTZEE-UHFFFAOYSA-N |
| INCHI | 1S/C16H23N3O3S/c1-3-22-15(20)13-11-5-4-6-12(11)23-14(13)17-16(21)19-9-7-18(2)8-10-19/h3-10H2,1-2H3,(H,17,21) |
| Isomeric SMILES | CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)N3CCN(CC3)C |
| PubChem CID | 8030846 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Piperazine carboxylic acids and derivatives |
| Direct Parent | Piperazine carboxamides |
| Alternative Parents | Thiophene carboxylic acids and derivatives N-methylpiperazines Vinylogous amides Heteroaromatic compounds Ureas Trialkylamines Carboxylic acid esters Amino acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Piperazine-1-carboxamide - Thiophene carboxylic acid or derivatives - N-methylpiperazine - N-alkylpiperazine - Thiophene - Vinylogous amide - Heteroaromatic compound - Urea - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as piperazine carboxamides. These are heterocyclic compounds containing a piperazine ring substituted by one or more carboxamide group. |
| External Descriptors | Not available |
| Molecular Weight | 337.400 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 337.146 Da |
| Monoisotopic Mass | 337.146 Da |
| Topological Polar Surface Area | 90.100 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 454.000 |
| 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 |
![ethyl 2-[(4-methylpiperazine-1-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate - CAS No(903864-87-9) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/E/1/E1230992.jpg)