2-[(1-cyclopentylpiperidin-4-yl)oxy]-5-methoxy-N,N-dimethylbenzamide

• ChemBase编号: 598338
• 分子式: C20H30N2O3
• 平均质量: 346.4638
• 单一同位素质量: 346.22564283
• SMILES: c1(C(=O)N(C)C)c(OC2CCN(CC2)C2CCCC2)ccc(c1)OC
• Canonical SMILES: COc1ccc(c(c1)C(=O)N(C)C)OC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C20H30N2O3/c1-21(2)20(23)18-14-17(24-3)8-9-19(18)25-16-10-12-22(13-11-16)15-6-4-5-7-15/h8-9,14-16H,4-7,10-13H2,1-3H3
• InChIKey: LMYBIUCVXSSEAS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[(1-cyclopentylpiperidin-4-yl)oxy]-5-methoxy-N,N-dimethylbenzamide
• IUPAC传统名: 2-[(1-cyclopentylpiperidin-4-yl)oxy]-5-methoxy-N,N-dimethylbenzamide
• 别名: 2-[(1-cyclopentylpiperidin-4-yl)oxy]-5-methoxy-N,N-dimethylbenzamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -1.0353988
• LogD (pH = 7.4): 0.28534523
• Log P: 2.3374038
• 摩尔折射率: 99.7205 cm^3
• 极化性: 38.521564 Å^3
• 极化表面积: 42.01 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 3.2
• LOG S: -4.46
• 极化表面积: 42.01 Å^2
• 可自由旋转的化学键: 5