1-cyclopropanecarbonylpiperidine-4-carboxamide

• ChemBase ID: 53583
• Molecular Formular: C10H16N2O2
• Molecular Mass: 196.24624
• Monoisotopic Mass: 196.12117776
• SMILES: C(=O)(N1CCC(C(=O)N)CC1)C1CC1
• Canonical SMILES: O=C(C1CC1)N1CCC(CC1)C(=O)N
• InChI: InChI=1S/C10H16N2O2/c11-9(13)7-3-5-12(6-4-7)10(14)8-1-2-8/h7-8H,1-6H2,(H2,11,13)
• InChIKey: CIVUVCUPZGVLIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropanecarbonylpiperidine-4-carboxamide
• IUPAC Traditional name: 1-cyclopropanecarbonylpiperidine-4-carboxamide
• Synonyms: 1-(Cyclopropylcarbonyl)-4-piperidinecarboxamide

Database IDs

• MDL Number: MFCD11643143
• PubChem SID: 162058346
• PubChem CID: 30148053

CALCULATED PROPERTIES

• Acid pKa: 16.32602
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.5369735
• LogD (pH = 7.4): -0.536972
• Log P: -0.5369719
• Molar Refractivity: 51.8626 cm^3
• Polarizability: 20.1432 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false