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

• ChemBase编号: 511501
• 分子式: C19H27ClN2O2
• 平均质量: 350.88288
• 单一同位素质量: 350.17610579
• SMILES: c1(C(=O)N(C)C)c(OC2CCN(CC2)C2CCCC2)ccc(c1)Cl
• Canonical SMILES: Clc1ccc(c(c1)C(=O)N(C)C)OC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C19H27ClN2O2/c1-21(2)19(23)17-13-14(20)7-8-18(17)24-16-9-11-22(12-10-16)15-5-3-4-6-15/h7-8,13,15-16H,3-6,9-12H2,1-2H3
• InChIKey: PVVSRFJEPHCQOV-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

Provided by Chembridge

• LOG S: -4.72
• 极化表面积: 32.78 Å^2
• 可自由旋转的化学键: 4
• 质子受体: 3
• 质子供体: 0
• Log P: 3.47

JChem

• 摩尔折射率: 98.0621 cm^3
• 极化性: 37.868824 Å^3
• 极化表面积: 32.78 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -0.26719403
• LogD (pH = 7.4): 1.0707843
• Log P: 3.0991197