6-oxopiperidine-3-carboxamide

• ChemBase ID: 241137
• Molecular Formular: C6H10N2O2
• Molecular Mass: 142.1558
• Monoisotopic Mass: 142.07422757
• SMILES: C1(C(=O)N)CNC(=O)CC1
• Canonical SMILES: O=C1CCC(CN1)C(=O)N
• InChI: InChI=1S/C6H10N2O2/c7-6(10)4-1-2-5(9)8-3-4/h4H,1-3H2,(H2,7,10)(H,8,9)
• InChIKey: ANLIFTKIEQPNJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-oxopiperidine-3-carboxamide
• IUPAC Traditional name: 6-oxopiperidine-3-carboxamide
• Synonyms: 6-oxopiperidine-3-carboxamide

Database IDs

• MDL Number: MFCD13178953
• PubChem SID: 164297047
• PubChem CID: 566808

CALCULATED PROPERTIES

• Acid pKa: 14.389563
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.5633315
• LogD (pH = 7.4): -1.5633314
• Log P: -1.5633312
• Molar Refractivity: 34.767 cm^3
• Polarizability: 13.547892 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.805

Product Information

• Purity: 95%