N-cyclopropyl-3-[1-(2,2-diphenylethyl)piperidin-3-yl]propanamide

• ChemBase ID: 617871
• Molecular Formular: C25H32N2O
• Molecular Mass: 376.53438
• Monoisotopic Mass: 376.25146365
• SMILES: N1(CC(c2ccccc2)c2ccccc2)CC(CCC(=O)NC2CC2)CCC1
• Canonical SMILES: O=C(NC1CC1)CCC1CCCN(C1)CC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C25H32N2O/c28-25(26-23-14-15-23)16-13-20-8-7-17-27(18-20)19-24(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-6,9-12,20,23-24H,7-8,13-19H2,(H,26,28)
• InChIKey: KVAYZWYYKXQVQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-3-[1-(2,2-diphenylethyl)piperidin-3-yl]propanamide
• IUPAC Traditional name: N-cyclopropyl-3-[1-(2,2-diphenylethyl)piperidin-3-yl]propanamide
• Synonyms: N-cyclopropyl-3-[1-(2,2-diphenylethyl)-3-piperidinyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.754431
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.9068128
• LogD (pH = 7.4): 1.7999035
• Log P: 4.3686132
• Molar Refractivity: 115.3334 cm^3
• Polarizability: 45.109104 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.85
• LOG S: -5.06
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 8