1-cyclopentanecarbonyl-N-(furan-3-ylmethyl)-N-methylpiperidine-4-carboxamide

• ChemBase编号: 862098
• 分子式: C18H26N2O3
• 平均质量: 318.41064
• 单一同位素质量: 318.1943427
• SMILES: N1(C(=O)C2CCCC2)CCC(C(=O)N(Cc2cocc2)C)CC1
• Canonical SMILES: O=C(N(Cc1cocc1)C)C1CCN(CC1)C(=O)C1CCCC1
• InChI: InChI=1S/C18H26N2O3/c1-19(12-14-8-11-23-13-14)17(21)16-6-9-20(10-7-16)18(22)15-4-2-3-5-15/h8,11,13,15-16H,2-7,9-10,12H2,1H3
• InChIKey: LTEKXXZZTRYJAO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-cyclopentanecarbonyl-N-(furan-3-ylmethyl)-N-methylpiperidine-4-carboxamide
• IUPAC传统名: 1-cyclopentanecarbonyl-N-(furan-3-ylmethyl)-N-methylpiperidine-4-carboxamide
• 别名: 1-(cyclopentylcarbonyl)-N-(3-furylmethyl)-N-methyl-4-piperidinecarboxamide

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.6642352
• LogD (pH = 7.4): 1.6642362
• Log P: 1.6642362
• 摩尔折射率: 87.984 cm^3
• 极化性: 33.946747 Å^3
• 极化表面积: 53.76 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 1.69
• LOG S: -2.96
• 极化表面积: 53.76 Å^2
• 可自由旋转的化学键: 4