2-{3-[4-hydroxy-4-(5-methylpyridin-2-yl)piperidine-1-carbonyl]phenoxy}acetamide

• ChemBase ID: 676598
• Molecular Formular: C20H23N3O4
• Molecular Mass: 369.41432
• Monoisotopic Mass: 369.16885623
• SMILES: C(=O)(N1CCC(c2ncc(cc2)C)(CC1)O)c1cc(OCC(=O)N)ccc1
• Canonical SMILES: NC(=O)COc1cccc(c1)C(=O)N1CCC(CC1)(O)c1ccc(cn1)C
• InChI: InChI=1S/C20H23N3O4/c1-14-5-6-17(22-12-14)20(26)7-9-23(10-8-20)19(25)15-3-2-4-16(11-15)27-13-18(21)24/h2-6,11-12,26H,7-10,13H2,1H3,(H2,21,24)
• InChIKey: ARQIFFIQAPFTQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{3-[4-hydroxy-4-(5-methylpyridin-2-yl)piperidine-1-carbonyl]phenoxy}acetamide
• IUPAC Traditional name: 2-{3-[4-hydroxy-4-(5-methylpyridin-2-yl)piperidine-1-carbonyl]phenoxy}acetamide
• Synonyms: 2-(3-{[4-hydroxy-4-(5-methylpyridin-2-yl)piperidin-1-yl]carbonyl}phenoxy)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.389261
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.31391832
• LogD (pH = 7.4): 0.43077496
• Log P: 0.43250838
• Molar Refractivity: 100.0386 cm^3
• Polarizability: 38.31055 Å^3
• Polar Surface Area: 105.75 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: -0.07
• LOG S: -3.14
• Polar Surface Area: 105.75 Å^2
• Rotatable Bonds: 5