1-cyclopentyl-N-[5-(morpholin-4-yl)pentyl]-6-oxopiperidine-3-carboxamide

• ChemBase编号: 368548
• 分子式: C20H35N3O3
• 平均质量: 365.5102
• 单一同位素质量: 365.267842
• SMILES: N1(CC(C(=O)NCCCCCN2CCOCC2)CCC1=O)C1CCCC1
• Canonical SMILES: O=C(C1CCC(=O)N(C1)C1CCCC1)NCCCCCN1CCOCC1
• InChI: InChI=1S/C20H35N3O3/c24-19-9-8-17(16-23(19)18-6-2-3-7-18)20(25)21-10-4-1-5-11-22-12-14-26-15-13-22/h17-18H,1-16H2,(H,21,25)
• InChIKey: QNWHSTGVPFQKEE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-cyclopentyl-N-[5-(morpholin-4-yl)pentyl]-6-oxopiperidine-3-carboxamide
• IUPAC传统名: 1-cyclopentyl-N-[5-(morpholin-4-yl)pentyl]-6-oxopiperidine-3-carboxamide
• 别名: 1-cyclopentyl-N-[5-(4-morpholinyl)pentyl]-6-oxo-3-piperidinecarboxamide

理论计算性质

JChem

• Acid pKa: 15.944788
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -1.1427621
• LogD (pH = 7.4): 0.5689952
• Log P: 1.0607579
• 摩尔折射率: 102.1782 cm^3
• 极化性: 40.024403 Å^3
• 极化表面积: 61.88 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 1
• Log P: 1.48
• LOG S: -2.24
• 极化表面积: 61.88 Å^2
• 可自由旋转的化学键: 8