N-[2-(4-methoxyphenyl)phenyl]-1-(2-phenylethyl)piperidine-3-carboxamide

• ChemBase ID: 326377
• Molecular Formular: C27H30N2O2
• Molecular Mass: 414.5393
• Monoisotopic Mass: 414.23072821
• SMILES: C(=O)(Nc1c(c2ccc(cc2)OC)cccc1)C1CN(CCc2ccccc2)CCC1
• Canonical SMILES: COc1ccc(cc1)c1ccccc1NC(=O)C1CCCN(C1)CCc1ccccc1
• InChI: InChI=1S/C27H30N2O2/c1-31-24-15-13-22(14-16-24)25-11-5-6-12-26(25)28-27(30)23-10-7-18-29(20-23)19-17-21-8-3-2-4-9-21/h2-6,8-9,11-16,23H,7,10,17-20H2,1H3,(H,28,30)
• InChIKey: SACPUGFUCFFRTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-methoxyphenyl)phenyl]-1-(2-phenylethyl)piperidine-3-carboxamide
• IUPAC Traditional name: N-[2-(4-methoxyphenyl)phenyl]-1-(2-phenylethyl)piperidine-3-carboxamide
• Synonyms: N-(4'-methoxy-2-biphenylyl)-1-(2-phenylethyl)-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.338165
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.9778849
• LogD (pH = 7.4): 3.2832584
• Log P: 5.356178
• Molar Refractivity: 127.4603 cm^3
• Polarizability: 50.124657 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.85
• LOG S: -5.47
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 6