N-[3-(3-methoxyphenyl)phenyl]-1-(2-methoxypyridine-3-carbonyl)piperidine-2-carboxamide

• ChemBase ID: 708243
• Molecular Formular: C26H27N3O4
• Molecular Mass: 445.51028
• Monoisotopic Mass: 445.20015636
• SMILES: C(=O)(N1C(C(=O)Nc2cc(c3cc(OC)ccc3)ccc2)CCCC1)c1c(nccc1)OC
• Canonical SMILES: COc1cccc(c1)c1cccc(c1)NC(=O)C1CCCCN1C(=O)c1cccnc1OC
• InChI: InChI=1S/C26H27N3O4/c1-32-21-11-6-9-19(17-21)18-8-5-10-20(16-18)28-24(30)23-13-3-4-15-29(23)26(31)22-12-7-14-27-25(22)33-2/h5-12,14,16-17,23H,3-4,13,15H2,1-2H3,(H,28,30)
• InChIKey: LCRMFLMLMGNFPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.208108
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 3.9544506
• LogD (pH = 7.4): 3.9545124
• Log P: 3.9545138
• Molar Refractivity: 127.3982 cm^3
• Polarizability: 49.35914 Å^3
• Polar Surface Area: 80.76 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 4.54
• LOG S: -6.47
• Polar Surface Area: 80.76 Å^2
• Rotatable Bonds: 4