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

• ChemBase ID: 686151
• Molecular Formular: C24H24N2O4
• Molecular Mass: 404.45836
• Monoisotopic Mass: 404.17360726
• SMILES: N1(C(=O)c2cocc2)CC(C(=O)Nc2ccc(c3cc(OC)ccc3)cc2)CCC1
• Canonical SMILES: COc1cccc(c1)c1ccc(cc1)NC(=O)C1CCCN(C1)C(=O)c1cocc1
• InChI: InChI=1S/C24H24N2O4/c1-29-22-6-2-4-18(14-22)17-7-9-21(10-8-17)25-23(27)19-5-3-12-26(15-19)24(28)20-11-13-30-16-20/h2,4,6-11,13-14,16,19H,3,5,12,15H2,1H3,(H,25,27)
• InChIKey: JEWFASAPVWYBRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.922112
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.5643578
• LogD (pH = 7.4): 3.5643578
• Log P: 3.5643578
• Molar Refractivity: 115.5478 cm^3
• Polarizability: 44.597893 Å^3
• Polar Surface Area: 71.78 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.65
• LOG S: -5.39
• Polar Surface Area: 71.78 Å^2
• Rotatable Bonds: 4