N-cyclopropylpiperidine-4-carboxamide

• ChemBase ID: 115817
• Molecular Formular: C9H16N2O
• Molecular Mass: 168.23614
• Monoisotopic Mass: 168.12626314
• SMILES: C(=O)(NC1CC1)C1CCNCC1
• Canonical SMILES: O=C(C1CCNCC1)NC1CC1
• InChI: InChI=1S/C9H16N2O/c12-9(11-8-1-2-8)7-3-5-10-6-4-7/h7-8,10H,1-6H2,(H,11,12)
• InChIKey: WJXILHPPCMZNEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropylpiperidine-4-carboxamide
• IUPAC Traditional name: N-cyclopropylpiperidine-4-carboxamide
• Synonyms: N-cyclopropylpiperidine-4-carboxamide; N-cyclopropylpiperidine-4-carboxamide hydrochloride

Database IDs

• MDL Number: MFCD08753840; MFCD16661128
• PubChem SID: 162100872
• PubChem CID: 18801957

CALCULATED PROPERTIES

• Acid pKa: 15.946685
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.463442
• LogD (pH = 7.4): -2.8790138
• Log P: -0.23746984
• Molar Refractivity: 47.0054 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

• Melting Point: 135 - 137°C
• Partition Coefficient: 0.156
• Hydrophobicity(logP): -0.882

Product Information

• Purity: 95%; 95+%
• Salt Data: HCl