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

• ChemBase ID: 754562
• Molecular Formular: C23H28N2O4
• Molecular Mass: 396.47942
• Monoisotopic Mass: 396.20490739
• SMILES: N1(C(=O)CCOC)CC(C(=O)Nc2ccc(c3cc(OC)ccc3)cc2)CCC1
• Canonical SMILES: COCCC(=O)N1CCCC(C1)C(=O)Nc1ccc(cc1)c1cccc(c1)OC
• InChI: InChI=1S/C23H28N2O4/c1-28-14-12-22(26)25-13-4-6-19(16-25)23(27)24-20-10-8-17(9-11-20)18-5-3-7-21(15-18)29-2/h3,5,7-11,15,19H,4,6,12-14,16H2,1-2H3,(H,24,27)
• InChIKey: ZOQMOMOZSPRHDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.922121
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.632829
• LogD (pH = 7.4): 2.632829
• Log P: 2.6328292
• Molar Refractivity: 113.5167 cm^3
• Polarizability: 44.57285 Å^3
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.36
• LOG S: -4.34
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 5