3-methoxy-N-methyl-4-[(1-methylpiperidin-4-yl)oxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

• ChemBase编号: 374553
• 分子式: C24H39N3O3
• 平均质量: 417.58476
• 单一同位素质量: 417.29914212
• SMILES: C(=O)(N(C1CC(NC(C1)(C)C)(C)C)C)c1cc(c(OC2CCN(CC2)C)cc1)OC
• Canonical SMILES: COc1cc(ccc1OC1CCN(CC1)C)C(=O)N(C1CC(C)(C)NC(C1)(C)C)C
• InChI: InChI=1S/C24H39N3O3/c1-23(2)15-18(16-24(3,4)25-23)27(6)22(28)17-8-9-20(21(14-17)29-7)30-19-10-12-26(5)13-11-19/h8-9,14,18-19,25H,10-13,15-16H2,1-7H3
• InChIKey: OUSQFJGOSUSJGC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-methoxy-N-methyl-4-[(1-methylpiperidin-4-yl)oxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
• IUPAC传统名: 3-methoxy-N-methyl-4-[(1-methylpiperidin-4-yl)oxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
• 别名: 3-methoxy-N-methyl-4-[(1-methyl-4-piperidinyl)oxy]-N-(2,2,6,6-tetramethyl-4-piperidinyl)benzamide

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): -4.0412474
• LogD (pH = 7.4): -1.8447256
• Log P: 2.0207634
• 摩尔折射率: 121.5777 cm^3
• 极化性: 47.414753 Å^3
• 极化表面积: 54.04 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: 5
• 质子供体: 1
• Log P: 2.08
• LOG S: -3.27
• 极化表面积: 54.04 Å^2
• 可自由旋转的化学键: 4