N-(2-acetamidophenyl)-2-[4-hydroxy-4-(5-methylpyridin-2-yl)piperidin-1-yl]acetamide

• ChemBase ID: 820423
• Molecular Formular: C21H26N4O3
• Molecular Mass: 382.45614
• Monoisotopic Mass: 382.20049071
• SMILES: C1(c2ncc(cc2)C)(CCN(CC(=O)Nc2c(NC(=O)C)cccc2)CC1)O
• Canonical SMILES: O=C(Nc1ccccc1NC(=O)C)CN1CCC(CC1)(O)c1ccc(cn1)C
• InChI: InChI=1S/C21H26N4O3/c1-15-7-8-19(22-13-15)21(28)9-11-25(12-10-21)14-20(27)24-18-6-4-3-5-17(18)23-16(2)26/h3-8,13,28H,9-12,14H2,1-2H3,(H,23,26)(H,24,27)
• InChIKey: PENPZOZKDWXMRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-acetamidophenyl)-2-[4-hydroxy-4-(5-methylpyridin-2-yl)piperidin-1-yl]acetamide
• IUPAC Traditional name: N-(2-acetamidophenyl)-2-[4-hydroxy-4-(5-methylpyridin-2-yl)piperidin-1-yl]acetamide
• Synonyms: N-[2-(acetylamino)phenyl]-2-[4-hydroxy-4-(5-methylpyridin-2-yl)piperidin-1-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.287259
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -0.09509449
• LogD (pH = 7.4): 0.93207103
• Log P: 0.9880658
• Molar Refractivity: 109.9518 cm^3
• Polarizability: 41.173973 Å^3
• Polar Surface Area: 94.56 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: -0.1
• LOG S: -3.21
• Polar Surface Area: 94.56 Å^2
• Rotatable Bonds: 5