1-cyclopentyl-N-(dicyclopropylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide

• ChemBase编号: 394676
• 分子式: C19H30N2O2
• 平均质量: 318.4537
• 单一同位素质量: 318.23072821
• SMILES: N1(CC(C(=O)N(C(C2CC2)C2CC2)C)CCC1=O)C1CCCC1
• Canonical SMILES: O=C(N(C(C1CC1)C1CC1)C)C1CCC(=O)N(C1)C1CCCC1
• InChI: InChI=1S/C19H30N2O2/c1-20(18(13-6-7-13)14-8-9-14)19(23)15-10-11-17(22)21(12-15)16-4-2-3-5-16/h13-16,18H,2-12H2,1H3
• InChIKey: OWVWIAHXYOYYFM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-cyclopentyl-N-(dicyclopropylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide
• IUPAC传统名: 1-cyclopentyl-N-(dicyclopropylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide
• 别名: 1-cyclopentyl-N-(dicyclopropylmethyl)-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): 2.0833158
• LogD (pH = 7.4): 2.0833204
• Log P: 2.0833204
• 摩尔折射率: 89.4245 cm^3
• 极化性: 35.2278 Å^3
• 极化表面积: 40.62 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: 2
• 质子供体: 0
• Log P: 2.54
• LOG S: -3.06
• 极化表面积: 40.62 Å^2
• 可自由旋转的化学键: 5