2-hydroxy-N-{2-[1-(pyridin-3-ylmethyl)piperidin-3-yl]ethyl}benzamide

• ChemBase ID: 816923
• Molecular Formular: C20H25N3O2
• Molecular Mass: 339.4314
• Monoisotopic Mass: 339.19467706
• SMILES: c1(C(=O)NCCC2CN(Cc3cnccc3)CCC2)c(O)cccc1
• Canonical SMILES: O=C(c1ccccc1O)NCCC1CCCN(C1)Cc1cccnc1
• InChI: InChI=1S/C20H25N3O2/c24-19-8-2-1-7-18(19)20(25)22-11-9-16-6-4-12-23(14-16)15-17-5-3-10-21-13-17/h1-3,5,7-8,10,13,16,24H,4,6,9,11-12,14-15H2,(H,22,25)
• InChIKey: OIIQSPASHJNYBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-N-{2-[1-(pyridin-3-ylmethyl)piperidin-3-yl]ethyl}benzamide
• IUPAC Traditional name: 2-hydroxy-N-{2-[1-(pyridin-3-ylmethyl)piperidin-3-yl]ethyl}benzamide
• Synonyms: 2-hydroxy-N-{2-[1-(pyridin-3-ylmethyl)piperidin-3-yl]ethyl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.082091
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.1689216
• LogD (pH = 7.4): 1.4861966
• Log P: 1.880808
• Molar Refractivity: 99.3398 cm^3
• Polarizability: 37.988323 Å^3
• Polar Surface Area: 65.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.37
• LOG S: -1.82
• Polar Surface Area: 65.46 Å^2
• Rotatable Bonds: 6