4-[(1-acetylpiperidin-4-yl)oxy]-N-cyclohexyl-3-methoxy-N-methylbenzamide

• ChemBase编号: 494428
• 分子式: C22H32N2O4
• 平均质量: 388.50048
• 单一同位素质量: 388.23620751
• SMILES: C(=O)(N(C1CCCCC1)C)c1cc(c(OC2CCN(C(=O)C)CC2)cc1)OC
• Canonical SMILES: COc1cc(ccc1OC1CCN(CC1)C(=O)C)C(=O)N(C1CCCCC1)C
• InChI: InChI=1S/C22H32N2O4/c1-16(25)24-13-11-19(12-14-24)28-20-10-9-17(15-21(20)27-3)22(26)23(2)18-7-5-4-6-8-18/h9-10,15,18-19H,4-8,11-14H2,1-3H3
• InChIKey: OTGGGPQGLNWJST-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-[(1-acetylpiperidin-4-yl)oxy]-N-cyclohexyl-3-methoxy-N-methylbenzamide
• IUPAC传统名: 4-[(1-acetylpiperidin-4-yl)oxy]-N-cyclohexyl-3-methoxy-N-methylbenzamide
• 别名: 4-[(1-acetyl-4-piperidinyl)oxy]-N-cyclohexyl-3-methoxy-N-methylbenzamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.0088665
• LogD (pH = 7.4): 2.0088668
• Log P: 2.0088668
• 摩尔折射率: 108.5927 cm^3
• 极化性: 41.899 Å^3
• 极化表面积: 59.08 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: 1.19
• LOG S: -3.2
• 极化表面积: 59.08 Å^2
• 可自由旋转的化学键: 4