3-(1-cyclobutylpiperidin-4-yl)-N-cyclopropylpropanamide

• ChemBase编号: 470940
• 分子式: C15H26N2O
• 平均质量: 250.37974
• 单一同位素质量: 250.20451346
• SMILES: N1(CCC(CC1)CCC(=O)NC1CC1)C1CCC1
• Canonical SMILES: O=C(NC1CC1)CCC1CCN(CC1)C1CCC1
• InChI: InChI=1S/C15H26N2O/c18-15(16-13-5-6-13)7-4-12-8-10-17(11-9-12)14-2-1-3-14/h12-14H,1-11H2,(H,16,18)
• InChIKey: AYTYFANMOQSTPF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-(1-cyclobutylpiperidin-4-yl)-N-cyclopropylpropanamide
• IUPAC传统名: 3-(1-cyclobutylpiperidin-4-yl)-N-cyclopropylpropanamide
• 别名: 3-(1-cyclobutyl-4-piperidinyl)-N-cyclopropylpropanamide

理论计算性质

JChem

• Acid pKa: 15.982036
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -1.7688227
• LogD (pH = 7.4): -0.8400938
• Log P: 1.6888814
• 摩尔折射率: 73.2884 cm^3
• 极化性: 28.905312 Å^3
• 极化表面积: 32.34 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: 1
• Log P: 1.14
• LOG S: -2.58
• 极化表面积: 32.34 Å^2
• 可自由旋转的化学键: 5