N-(2,2-diphenylethyl)-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide

• ChemBase ID: 573681
• Molecular Formular: C28H29FN2O2
• Molecular Mass: 444.5404632
• Monoisotopic Mass: 444.2213064
• SMILES: N1(C(=O)CCC(C(=O)NCC(c2ccccc2)c2ccccc2)C1)CCc1cc(F)ccc1
• Canonical SMILES: Fc1cccc(c1)CCN1CC(CCC1=O)C(=O)NCC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C28H29FN2O2/c29-25-13-7-8-21(18-25)16-17-31-20-24(14-15-27(31)32)28(33)30-19-26(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-13,18,24,26H,14-17,19-20H2,(H,30,33)
• InChIKey: BVUDPXLRRITGMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,2-diphenylethyl)-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
• IUPAC Traditional name: N-(2,2-diphenylethyl)-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
• Synonyms: N-(2,2-diphenylethyl)-1-[2-(3-fluorophenyl)ethyl]-6-oxo-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.174887
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.5517683
• LogD (pH = 7.4): 4.5517683
• Log P: 4.5517683
• Molar Refractivity: 128.0786 cm^3
• Polarizability: 49.266594 Å^3
• Polar Surface Area: 49.41 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: 4.82
• LOG S: -5.97
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 8