N-phenyl-2-(pyridin-3-yl)piperidine-1-carboxamide

• ChemBase ID: 185709
• Molecular Formular: C17H19N3O
• Molecular Mass: 281.35226
• Monoisotopic Mass: 281.15281224
• SMILES: C(=O)(N1C(c2cnccc2)CCCC1)Nc1ccccc1
• Canonical SMILES: O=C(N1CCCCC1c1cccnc1)Nc1ccccc1
• InChI: InChI=1S/C17H19N3O/c21-17(19-15-8-2-1-3-9-15)20-12-5-4-10-16(20)14-7-6-11-18-13-14/h1-3,6-9,11,13,16H,4-5,10,12H2,(H,19,21)
• InChIKey: VEOMAYPGEUGWOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-phenyl-2-(pyridin-3-yl)piperidine-1-carboxamide
• IUPAC Traditional name: N-phenyl-2-(pyridin-3-yl)piperidine-1-carboxamide

Database IDs

• PubChem SID: 164241619
• PubChem CID: 2893964

CALCULATED PROPERTIES

• Acid pKa: 13.368391
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6731415
• LogD (pH = 7.4): 2.7407439
• Log P: 2.7416966
• Molar Refractivity: 83.659 cm^3
• Polarizability: 31.674362 Å^3
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds