2-(2,5-dimethoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]acetamide

• ChemBase ID: 864643
• Molecular Formular: C17H26N2O3
• Molecular Mass: 306.39994
• Monoisotopic Mass: 306.1943427
• SMILES: c1(CC(=O)NCC2CCN(CC2)C)c(ccc(c1)OC)OC
• Canonical SMILES: COc1ccc(cc1CC(=O)NCC1CCN(CC1)C)OC
• InChI: InChI=1S/C17H26N2O3/c1-19-8-6-13(7-9-19)12-18-17(20)11-14-10-15(21-2)4-5-16(14)22-3/h4-5,10,13H,6-9,11-12H2,1-3H3,(H,18,20)
• InChIKey: QXZSNHKLVZCUGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-dimethoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]acetamide
• IUPAC Traditional name: 2-(2,5-dimethoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]acetamide
• Synonyms: 2-(2,5-dimethoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.588463
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.0532038
• LogD (pH = 7.4): -0.5151861
• Log P: 1.1997919
• Molar Refractivity: 87.28 cm^3
• Polarizability: 33.939575 Å^3
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.29
• LOG S: -2.54
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 6