N-(4-Piperidin-1-yl-phenyl)-succinamic acid - ≥95% , CAS No.436086-97-4

CAS: 436086-97-4 Cat. No.: N1047430 Molecular Weight: 276.34 PubChem CID: 795860

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCC(=O)O
• IUPAC Name: 4-oxo-4-(4-piperidin-1-ylanilino)butanoic acid
• InChIKey: LUUNYEARQACGDQ-UHFFFAOYSA-N
• INCHI: 1S/C15H20N2O3/c18-14(8-9-15(19)20)16-12-4-6-13(7-5-12)17-10-2-1-3-11-17/h4-7H,1-3,8-11H2,(H,16,18)(H,19,20)
• Isomeric SMILES: C1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCC(=O)O
• PubChem CID: 795860
• Molecular Weight: 276.34

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Piperidines
      • Subclass Phenylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Piperidines
• Subclass: Phenylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperidines
• Alternative Parents: Anilides N-arylamides Dialkylarylamines Aniline and substituted anilines Fatty amides Secondary carboxylic acid amides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperidine - Anilide - Tertiary aliphatic/aromatic amine - N-arylamide - Dialkylarylamine - Aniline or substituted anilines - Fatty amide - Benzenoid - Monocyclic benzene moiety - Fatty acyl - Amino acid - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organopnictogen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Amine - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 276.330 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 276.147 Da
• Monoisotopic Mass: 276.147 Da
• Topological Polar Surface Area: 69.600 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 332.000
• 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