N-[1-(1-cyclopentanecarbonylpiperidin-4-yl)-2-phenylethyl]-2-(dimethylamino)-N-methylacetamide

• ChemBase编号: 550252
• 分子式: C24H37N3O2
• 平均质量: 399.56948
• 单一同位素质量: 399.28857744
• SMILES: C(=O)(N(C(C1CCN(C(=O)C2CCCC2)CC1)Cc1ccccc1)C)CN(C)C
• Canonical SMILES: CN(CC(=O)N(C(C1CCN(CC1)C(=O)C1CCCC1)Cc1ccccc1)C)C
• InChI: InChI=1S/C24H37N3O2/c1-25(2)18-23(28)26(3)22(17-19-9-5-4-6-10-19)20-13-15-27(16-14-20)24(29)21-11-7-8-12-21/h4-6,9-10,20-22H,7-8,11-18H2,1-3H3
• InChIKey: QHHREZSDFAMBQX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[1-(1-cyclopentanecarbonylpiperidin-4-yl)-2-phenylethyl]-2-(dimethylamino)-N-methylacetamide
• IUPAC传统名: N-[1-(1-cyclopentanecarbonylpiperidin-4-yl)-2-phenylethyl]-2-(dimethylamino)-N-methylacetamide
• 别名: N~1~-{1-[1-(cyclopentylcarbonyl)-4-piperidinyl]-2-phenylethyl}-N~1~,N~2~,N~2~-trimethylglycinamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.7743302
• LogD (pH = 7.4): 2.4112449
• Log P: 2.7646985
• 摩尔折射率: 117.8676 cm^3
• 极化性: 45.96586 Å^3
• 极化表面积: 43.86 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: 2.39
• LOG S: -2.08
• 极化表面积: 43.86 Å^2
• 可自由旋转的化学键: 6