N-(piperidin-4-yl)cyclopropanecarboxamide

• ChemBase ID: 254027
• Molecular Formular: C9H16N2O
• Molecular Mass: 168.23614
• Monoisotopic Mass: 168.12626314
• SMILES: C(=O)(C1CC1)NC1CCNCC1
• Canonical SMILES: O=C(C1CC1)NC1CCNCC1
• InChI: InChI=1S/C9H16N2O/c12-9(7-1-2-7)11-8-3-5-10-6-4-8/h7-8,10H,1-6H2,(H,11,12)
• InChIKey: NWIPHMJDAVGBOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(piperidin-4-yl)cyclopropanecarboxamide
• IUPAC Traditional name: N-(piperidin-4-yl)cyclopropanecarboxamide
• Synonyms: N-piperidin-4-ylcyclopropanecarboxamide

Database IDs

• MDL Number: MFCD05254808
• PubChem SID: 164309937
• PubChem CID: 1445166

CALCULATED PROPERTIES

• Acid pKa: 15.944512
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.6032624
• LogD (pH = 7.4): -2.9189553
• Log P: -0.38305786
• Molar Refractivity: 46.9182 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

• Hydrophobicity(logP): -1.112

Product Information

• Purity: 95%