N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[2-(piperidin-1-yl)ethyl]cyclobutanecarboxamide

• ChemBase编号: 856358
• 分子式: C23H41N3O
• 平均质量: 375.59114
• 单一同位素质量: 375.32496295
• SMILES: C(=O)(N(CC1CN(C2CCCC2)CCC1)CCN1CCCCC1)C1CCC1
• Canonical SMILES: O=C(N(CC1CCCN(C1)C1CCCC1)CCN1CCCCC1)C1CCC1
• InChI: InChI=1S/C23H41N3O/c27-23(21-9-6-10-21)26(17-16-24-13-4-1-5-14-24)19-20-8-7-15-25(18-20)22-11-2-3-12-22/h20-22H,1-19H2
• InChIKey: ONNXXNYBADSKCO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[2-(piperidin-1-yl)ethyl]cyclobutanecarboxamide
• IUPAC传统名: N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[2-(piperidin-1-yl)ethyl]cyclobutanecarboxamide
• 别名: N-[(1-cyclopentyl-3-piperidinyl)methyl]-N-[2-(1-piperidinyl)ethyl]cyclobutanecarboxamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -2.7854476
• LogD (pH = 7.4): 0.04349328
• Log P: 3.3941047
• 摩尔折射率: 113.0041 cm^3
• 极化性: 44.448112 Å^3
• 极化表面积: 26.79 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 3.93
• LOG S: -2.34
• 极化表面积: 26.79 Å^2
• 可自由旋转的化学键: 7