N-cyclohexyl-4-{[1-(3-methoxypropanoyl)piperidin-4-yl]oxy}-N-methylbenzamide

• ChemBase编号: 573325
• 分子式: C23H34N2O4
• 平均质量: 402.52706
• 单一同位素质量: 402.25185758
• SMILES: C(=O)(N(C1CCCCC1)C)c1ccc(OC2CCN(C(=O)CCOC)CC2)cc1
• Canonical SMILES: COCCC(=O)N1CCC(CC1)Oc1ccc(cc1)C(=O)N(C1CCCCC1)C
• InChI: InChI=1S/C23H34N2O4/c1-24(19-6-4-3-5-7-19)23(27)18-8-10-20(11-9-18)29-21-12-15-25(16-13-21)22(26)14-17-28-2/h8-11,19,21H,3-7,12-17H2,1-2H3
• InChIKey: YAQDSQLCXOGBKV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclohexyl-4-{[1-(3-methoxypropanoyl)piperidin-4-yl]oxy}-N-methylbenzamide
• IUPAC传统名: N-cyclohexyl-4-{[1-(3-methoxypropanoyl)piperidin-4-yl]oxy}-N-methylbenzamide
• 别名: N-cyclohexyl-4-{[1-(3-methoxypropanoyl)-4-piperidinyl]oxy}-N-methylbenzamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.2294288
• LogD (pH = 7.4): 2.2294292
• Log P: 2.2294292
• 摩尔折射率: 113.2823 cm^3
• 极化性: 43.751606 Å^3
• 极化表面积: 59.08 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 2.04
• LOG S: -3.69
• 极化表面积: 59.08 Å^2
• 可自由旋转的化学键: 6