N-(3-cyclopentylpropyl)-1-cyclopropyl-N-methyl-6-oxopiperidine-3-carboxamide

• ChemBase编号: 581674
• 分子式: C18H30N2O2
• 平均质量: 306.443
• 单一同位素质量: 306.23072821
• SMILES: N1(CC(C(=O)N(CCCC2CCCC2)C)CCC1=O)C1CC1
• Canonical SMILES: O=C(C1CCC(=O)N(C1)C1CC1)N(CCCC1CCCC1)C
• InChI: InChI=1S/C18H30N2O2/c1-19(12-4-7-14-5-2-3-6-14)18(22)15-8-11-17(21)20(13-15)16-9-10-16/h14-16H,2-13H2,1H3
• InChIKey: HQSXHABTIGLNRO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(3-cyclopentylpropyl)-1-cyclopropyl-N-methyl-6-oxopiperidine-3-carboxamide
• IUPAC传统名: N-(3-cyclopentylpropyl)-1-cyclopropyl-N-methyl-6-oxopiperidine-3-carboxamide
• 别名: N-(3-cyclopentylpropyl)-1-cyclopropyl-N-methyl-6-oxo-3-piperidinecarboxamide

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.0541592
• LogD (pH = 7.4): 2.0541596
• Log P: 2.0541596
• 摩尔折射率: 87.0913 cm^3
• 极化性: 34.113663 Å^3
• 极化表面积: 40.62 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: 2
• 质子供体: 0
• Log P: 2.84
• LOG S: -2.49
• 极化表面积: 40.62 Å^2
• 可自由旋转的化学键: 6