1-(2,2-diphenylethyl)-N-methylpiperidine-2-carboxamide

• ChemBase ID: 756313
• Molecular Formular: C21H26N2O
• Molecular Mass: 322.44394
• Monoisotopic Mass: 322.20451346
• SMILES: N1(CC(c2ccccc2)c2ccccc2)C(C(=O)NC)CCCC1
• Canonical SMILES: CNC(=O)C1CCCCN1CC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C21H26N2O/c1-22-21(24)20-14-8-9-15-23(20)16-19(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-7,10-13,19-20H,8-9,14-16H2,1H3,(H,22,24)
• InChIKey: RBMZILLJPPXTGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,2-diphenylethyl)-N-methylpiperidine-2-carboxamide
• IUPAC Traditional name: 1-(2,2-diphenylethyl)-N-methylpiperidine-2-carboxamide
• Synonyms: 1-(2,2-diphenylethyl)-N-methylpiperidine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.969312
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.63195384
• LogD (pH = 7.4): 2.3365324
• Log P: 3.6591198
• Molar Refractivity: 98.6131 cm^3
• Polarizability: 38.463295 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.06
• LOG S: -4.17
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 5