N-cyclopropylpiperidine-3-carboxamide

• ChemBase ID: 116046
• Molecular Formular: C9H16N2O
• Molecular Mass: 168.23614
• Monoisotopic Mass: 168.12626314
• SMILES: C(=O)(NC1CC1)C1CNCCC1
• Canonical SMILES: O=C(C1CCCNC1)NC1CC1
• InChI: InChI=1S/C9H16N2O/c12-9(11-8-3-4-8)7-2-1-5-10-6-7/h7-8,10H,1-6H2,(H,11,12)
• InChIKey: OGCHRLNYITUXPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropylpiperidine-3-carboxamide
• IUPAC Traditional name: N-cyclopropylpiperidine-3-carboxamide
• Synonyms: N-cyclopropylpiperidine-3-carboxamide hydrochloride

Database IDs

• MDL Number: MFCD15209624
• PubChem SID: 162100819
• PubChem CID: 18072360

CALCULATED PROPERTIES

• Acid pKa: 15.927852
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.2676003
• LogD (pH = 7.4): -2.2494416
• Log P: -0.08156238
• Molar Refractivity: 46.8514 cm^3
• Polarizability: 18.585028 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.156

Product Information

• Purity: 95+%
• Salt Data: HCl