3-(1-cyclopentanecarbonylpiperidin-3-yl)-N-methyl-N-(1-methylpiperidin-4-yl)propanamide

• ChemBase编号: 527151
• 分子式: C21H37N3O2
• 平均质量: 363.53738
• 单一同位素质量: 363.28857744
• SMILES: N1(C(=O)C2CCCC2)CC(CCC(=O)N(C2CCN(CC2)C)C)CCC1
• Canonical SMILES: CN1CCC(CC1)N(C(=O)CCC1CCCN(C1)C(=O)C1CCCC1)C
• InChI: InChI=1S/C21H37N3O2/c1-22-14-11-19(12-15-22)23(2)20(25)10-9-17-6-5-13-24(16-17)21(26)18-7-3-4-8-18/h17-19H,3-16H2,1-2H3
• InChIKey: RIENIWYMKZNSQX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-(1-cyclopentanecarbonylpiperidin-3-yl)-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
• IUPAC传统名: 3-(1-cyclopentanecarbonylpiperidin-3-yl)-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
• 别名: 3-[1-(cyclopentylcarbonyl)-3-piperidinyl]-N-methyl-N-(1-methyl-4-piperidinyl)propanamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -1.3834848
• LogD (pH = 7.4): 0.35707498
• Log P: 1.5374476
• 摩尔折射率: 105.4082 cm^3
• 极化性: 41.163292 Å^3
• 极化表面积: 43.86 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: 0
• Log P: 0.53
• LOG S: -2.03
• 极化表面积: 43.86 Å^2
• 可自由旋转的化学键: 5