N-[2-(3-methoxyphenyl)phenyl]-1-[(2E)-2-methyl-3-phenylprop-2-en-1-yl]piperidine-4-carboxamide

• ChemBase ID: 353071
• Molecular Formular: C29H32N2O2
• Molecular Mass: 440.57658
• Monoisotopic Mass: 440.24637827
• SMILES: C(=O)(Nc1c(c2cc(OC)ccc2)cccc1)C1CCN(C/C(=C/c2ccccc2)/C)CC1
• Canonical SMILES: COc1cccc(c1)c1ccccc1NC(=O)C1CCN(CC1)C/C(=C/c1ccccc1)/C
• InChI: InChI=1S/C29H32N2O2/c1-22(19-23-9-4-3-5-10-23)21-31-17-15-24(16-18-31)29(32)30-28-14-7-6-13-27(28)25-11-8-12-26(20-25)33-2/h3-14,19-20,24H,15-18,21H2,1-2H3,(H,30,32)/b22-19+
• InChIKey: YDEXCQLUPNLFAM-ZBJSNUHESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(3-methoxyphenyl)phenyl]-1-[(2E)-2-methyl-3-phenylprop-2-en-1-yl]piperidine-4-carboxamide
• IUPAC Traditional name: N-[2-(3-methoxyphenyl)phenyl]-1-[(2E)-2-methyl-3-phenylprop-2-en-1-yl]piperidine-4-carboxamide
• Synonyms: N-(3'-methoxy-2-biphenylyl)-1-[(2E)-2-methyl-3-phenyl-2-propen-1-yl]-4-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.356544
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.7305217
• LogD (pH = 7.4): 4.43199
• Log P: 5.7648864
• Molar Refractivity: 137.4599 cm^3
• Polarizability: 53.746315 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: 4.63
• LOG S: -5.9
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 6