1-(6-hydroxypyridine-3-carbonyl)-N-[4-(3-methoxyphenyl)phenyl]piperidine-3-carboxamide

• ChemBase ID: 336546
• Molecular Formular: C25H25N3O4
• Molecular Mass: 431.4837
• Monoisotopic Mass: 431.1845063
• SMILES: N1(C(=O)c2cnc(cc2)O)CC(C(=O)Nc2ccc(c3cc(OC)ccc3)cc2)CCC1
• Canonical SMILES: COc1cccc(c1)c1ccc(cc1)NC(=O)C1CCCN(C1)C(=O)c1ccc(nc1)O
• InChI: InChI=1S/C25H25N3O4/c1-32-22-6-2-4-18(14-22)17-7-10-21(11-8-17)27-24(30)20-5-3-13-28(16-20)25(31)19-9-12-23(29)26-15-19/h2,4,6-12,14-15,20H,3,5,13,16H2,1H3,(H,26,29)(H,27,30)
• InChIKey: BBAJTTIPGWOYFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(6-hydroxypyridine-3-carbonyl)-N-[4-(3-methoxyphenyl)phenyl]piperidine-3-carboxamide
• IUPAC Traditional name: 1-(6-hydroxypyridine-3-carbonyl)-N-[4-(3-methoxyphenyl)phenyl]piperidine-3-carboxamide
• Synonyms: 1-[(6-hydroxy-3-pyridinyl)carbonyl]-N-(3'-methoxy-4-biphenylyl)-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.275814
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 3.4973156
• LogD (pH = 7.4): 3.4967616
• Log P: 3.497332
• Molar Refractivity: 123.1719 cm^3
• Polarizability: 47.440723 Å^3
• Polar Surface Area: 91.76 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 3.74
• LOG S: -5.95
• Polar Surface Area: 91.76 Å^2
• Rotatable Bonds: 4