2-(3-benzyl-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-methyl-N-(piperidin-4-yl)acetamide

• ChemBase编号: 763791
• 分子式: C24H29N3O2
• 平均质量: 391.50596
• 单一同位素质量: 391.22597718
• SMILES: C1(C(=O)N(c2c1cccc2)C)(CC(=O)N(C1CCNCC1)C)Cc1ccccc1
• Canonical SMILES: CN(C(=O)CC1(Cc2ccccc2)C(=O)N(c2c1cccc2)C)C1CCNCC1
• InChI: InChI=1S/C24H29N3O2/c1-26(19-12-14-25-15-13-19)22(28)17-24(16-18-8-4-3-5-9-18)20-10-6-7-11-21(20)27(2)23(24)29/h3-11,19,25H,12-17H2,1-2H3
• InChIKey: AHTSDOAIEBDHHW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(3-benzyl-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-methyl-N-(piperidin-4-yl)acetamide
• IUPAC传统名: 2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-methyl-N-(piperidin-4-yl)acetamide
• 别名: 2-(3-benzyl-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-methyl-N-piperidin-4-ylacetamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -1.1981817
• LogD (pH = 7.4): -0.5132973
• Log P: 2.021984
• 摩尔折射率: 114.5107 cm^3
• 极化性: 44.49621 Å^3
• 极化表面积: 52.65 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: 3
• 质子供体: 1
• Log P: 2.78
• LOG S: -4.43
• 极化表面积: 52.65 Å^2
• 可自由旋转的化学键: 5