N-[4-(3-fluorophenyl)phenyl]-1-(5-methoxyfuran-2-carbonyl)piperidine-3-carboxamide

• ChemBase ID: 481552
• Molecular Formular: C24H23FN2O4
• Molecular Mass: 422.4488232
• Monoisotopic Mass: 422.16418545
• SMILES: c1(C(=O)N2CC(C(=O)Nc3ccc(c4cc(F)ccc4)cc3)CCC2)oc(cc1)OC
• Canonical SMILES: COc1ccc(o1)C(=O)N1CCCC(C1)C(=O)Nc1ccc(cc1)c1cccc(c1)F
• InChI: InChI=1S/C24H23FN2O4/c1-30-22-12-11-21(31-22)24(29)27-13-3-5-18(15-27)23(28)26-20-9-7-16(8-10-20)17-4-2-6-19(25)14-17/h2,4,6-12,14,18H,3,5,13,15H2,1H3,(H,26,28)
• InChIKey: WLACDAIEZKLRNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(3-fluorophenyl)phenyl]-1-(5-methoxyfuran-2-carbonyl)piperidine-3-carboxamide
• IUPAC Traditional name: N-[4-(3-fluorophenyl)phenyl]-1-(5-methoxyfuran-2-carbonyl)piperidine-3-carboxamide
• Synonyms: N-(3'-fluoro-4-biphenylyl)-1-(5-methoxy-2-furoyl)-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.918208
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.716352
• LogD (pH = 7.4): 3.7163517
• Log P: 3.716352
• Molar Refractivity: 114.895 cm^3
• Polarizability: 44.269516 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: 4.11
• LOG S: -6.55
• Polar Surface Area: 71.78 Å^2
• Rotatable Bonds: 4