1-cyclopentyl-N-ethyl-N-[2-(morpholin-4-yl)ethyl]-6-oxopiperidine-3-carboxamide

• ChemBase编号: 416139
• 分子式: C19H33N3O3
• 平均质量: 351.48362
• 单一同位素质量: 351.25219193
• SMILES: N1(CC(C(=O)N(CCN2CCOCC2)CC)CCC1=O)C1CCCC1
• Canonical SMILES: CCN(C(=O)C1CCC(=O)N(C1)C1CCCC1)CCN1CCOCC1
• InChI: InChI=1S/C19H33N3O3/c1-2-21(10-9-20-11-13-25-14-12-20)19(24)16-7-8-18(23)22(15-16)17-5-3-4-6-17/h16-17H,2-15H2,1H3
• InChIKey: PZMKWMCVJDKYQF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-cyclopentyl-N-ethyl-N-[2-(morpholin-4-yl)ethyl]-6-oxopiperidine-3-carboxamide
• IUPAC传统名: 1-cyclopentyl-N-ethyl-N-[2-(morpholin-4-yl)ethyl]-6-oxopiperidine-3-carboxamide
• 别名: 1-cyclopentyl-N-ethyl-N-[2-(4-morpholinyl)ethyl]-6-oxo-3-piperidinecarboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -0.24324282
• LogD (pH = 7.4): 0.5862033
• Log P: 0.6193508
• 摩尔折射率: 97.7125 cm^3
• 极化性: 38.18652 Å^3
• 极化表面积: 53.09 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 2.05
• LOG S: -0.26
• 极化表面积: 53.09 Å^2
• 可自由旋转的化学键: 5