4-oxopiperidine-1-carboxamide

• ChemBase ID: 252471
• Molecular Formular: C6H10N2O2
• Molecular Mass: 142.1558
• Monoisotopic Mass: 142.07422757
• SMILES: C(=O)(N1CCC(=O)CC1)N
• Canonical SMILES: O=C1CCN(CC1)C(=O)N
• InChI: InChI=1S/C6H10N2O2/c7-6(10)8-3-1-5(9)2-4-8/h1-4H2,(H2,7,10)
• InChIKey: HJBPZASQNKLIBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-oxopiperidine-1-carboxamide
• IUPAC Traditional name: 4-oxopiperidine-1-carboxamide
• Synonyms: 4-oxopiperidine-1-carboxamide

Database IDs

• CAS Number: 306976-42-1
• MDL Number: MFCD00665157
• PubChem SID: 164308381
• PubChem CID: 1486945

CALCULATED PROPERTIES

• Acid pKa: 15.708787
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.9335184
• LogD (pH = 7.4): -0.9335184
• Log P: -0.9335184
• Molar Refractivity: 35.4114 cm^3
• Polarizability: 13.547892 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 137 - 139°C
• Hydrophobicity(logP): -1.682

Product Information

• Purity: 95%