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

• ChemBase编号: 428574
• 分子式: C25H38N2O4
• 平均质量: 430.58022
• 单一同位素质量: 430.28315771
• SMILES: N1(C(=O)CCOC)CCC(CC1)Oc1ccc(C(=O)N(CCCC2CCCC2)C)cc1
• Canonical SMILES: COCCC(=O)N1CCC(CC1)Oc1ccc(cc1)C(=O)N(CCCC1CCCC1)C
• InChI: InChI=1S/C25H38N2O4/c1-26(16-5-8-20-6-3-4-7-20)25(29)21-9-11-22(12-10-21)31-23-13-17-27(18-14-23)24(28)15-19-30-2/h9-12,20,23H,3-8,13-19H2,1-2H3
• InChIKey: FNHKLXGKKVJHAQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(3-cyclopentylpropyl)-4-{[1-(3-methoxypropanoyl)piperidin-4-yl]oxy}-N-methylbenzamide
• IUPAC传统名: N-(3-cyclopentylpropyl)-4-{[1-(3-methoxypropanoyl)piperidin-4-yl]oxy}-N-methylbenzamide
• 别名: N-(3-cyclopentylpropyl)-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): 2.9110565
• LogD (pH = 7.4): 2.9110568
• Log P: 2.9110568
• 摩尔折射率: 122.6911 cm^3
• 极化性: 47.429966 Å^3
• 极化表面积: 59.08 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 3.16
• LOG S: -4.63
• 极化表面积: 59.08 Å^2
• 可自由旋转的化学键: 9