N-{[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl}-N-(2-methoxyethyl)cyclopentanecarboxamide

• ChemBase编号: 490970
• 分子式: C24H36N2O2
• 平均质量: 384.55484
• 单一同位素质量: 384.2776784
• SMILES: N1(C2Cc3c(C2)cccc3)CC(CN(C(=O)C2CCCC2)CCOC)CCC1
• Canonical SMILES: COCCN(C(=O)C1CCCC1)CC1CCCN(C1)C1Cc2c(C1)cccc2
• InChI: InChI=1S/C24H36N2O2/c1-28-14-13-26(24(27)20-8-2-3-9-20)18-19-7-6-12-25(17-19)23-15-21-10-4-5-11-22(21)16-23/h4-5,10-11,19-20,23H,2-3,6-9,12-18H2,1H3
• InChIKey: RFJZUISJXPNQNV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-{[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl}-N-(2-methoxyethyl)cyclopentanecarboxamide
• IUPAC传统名: N-{[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl}-N-(2-methoxyethyl)cyclopentanecarboxamide
• 别名: N-{[1-(2,3-dihydro-1H-inden-2-yl)-3-piperidinyl]methyl}-N-(2-methoxyethyl)cyclopentanecarboxamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.3003051
• LogD (pH = 7.4): 1.5993745
• Log P: 3.6807754
• 摩尔折射率: 114.4217 cm^3
• 极化性: 44.567844 Å^3
• 极化表面积: 32.78 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: 3
• 质子供体: 0
• Log P: 3.49
• LOG S: -3.67
• 极化表面积: 32.78 Å^2
• 可自由旋转的化学键: 6