ethyl 1-(1-methyl-2-oxo-1,2-dihydropyridine-4-carbonyl)piperidine-3-carboxylate

• ChemBase编号: 267813
• 分子式: C15H20N2O4
• 平均质量: 292.3303
• 单一同位素质量: 292.14230713
• SMILES: c1(C(=O)N2CC(C(=O)OCC)CCC2)cc(=O)n(cc1)C
• Canonical SMILES: CCOC(=O)C1CCCN(C1)C(=O)c1ccn(c(=O)c1)C
• InChI: InChI=1S/C15H20N2O4/c1-3-21-15(20)12-5-4-7-17(10-12)14(19)11-6-8-16(2)13(18)9-11/h6,8-9,12H,3-5,7,10H2,1-2H3
• InChIKey: RPBOKKIPORVSQL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 1-(1-methyl-2-oxo-1,2-dihydropyridine-4-carbonyl)piperidine-3-carboxylate
• IUPAC传统名: ethyl 1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-3-carboxylate
• 别名: ethyl 1-[(1-methyl-2-oxo-1,2-dihydropyridin-4-yl)carbonyl]piperidine-3-carboxylate

登记号

• MDL号: MFCD13690840
• PubChem SID: 164323723
• PubChem CID: 43423509

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.04755189
• LogD (pH = 7.4): 0.047719337
• Log P: 0.04772147
• 摩尔折射率: 78.3024 cm^3
• 极化性: 29.651487 Å^3
• 极化表面积: 66.92 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): 0.303

产品相关信息

• 纯度: 95%