4-[(1-acetylpiperidin-4-yl)oxy]-3-methoxy-N-(3,3,5,5-tetramethylcyclohexyl)benzamide

• ChemBase ID: 833841
• Molecular Formular: C25H38N2O4
• Molecular Mass: 430.58022
• Monoisotopic Mass: 430.28315771
• SMILES: C(=O)(NC1CC(CC(C1)(C)C)(C)C)c1cc(c(OC2CCN(C(=O)C)CC2)cc1)OC
• Canonical SMILES: COc1cc(ccc1OC1CCN(CC1)C(=O)C)C(=O)NC1CC(C)(C)CC(C1)(C)C
• InChI: InChI=1S/C25H38N2O4/c1-17(28)27-11-9-20(10-12-27)31-21-8-7-18(13-22(21)30-6)23(29)26-19-14-24(2,3)16-25(4,5)15-19/h7-8,13,19-20H,9-12,14-16H2,1-6H3,(H,26,29)
• InChIKey: KQTJQOYRZOFACQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(1-acetylpiperidin-4-yl)oxy]-3-methoxy-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
• IUPAC Traditional name: 4-[(1-acetylpiperidin-4-yl)oxy]-3-methoxy-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
• Synonyms: 4-[(1-acetyl-4-piperidinyl)oxy]-3-methoxy-N-(3,3,5,5-tetramethylcyclohexyl)benzamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Log P: 3.5
• LOG S: -5.41
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 4
• H Acceptors: 4
• H Donor: 1

JChem

• Molar Refractivity: 121.7434 cm^3
• Polarizability: 47.415676 Å^3
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 14.801456
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.9593227
• LogD (pH = 7.4): 2.9593232
• Log P: 2.9593232