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

• ChemBase编号: 268131
• 分子式: C14H18N2O4
• 平均质量: 278.30372
• 单一同位素质量: 278.12665707
• SMILES: c1(C(=O)N2CCC(C(=O)OC)CC2)cc(=O)n(cc1)C
• Canonical SMILES: COC(=O)C1CCN(CC1)C(=O)c1ccn(c(=O)c1)C
• InChI: InChI=1S/C14H18N2O4/c1-15-6-3-11(9-12(15)17)13(18)16-7-4-10(5-8-16)14(19)20-2/h3,6,9-10H,4-5,7-8H2,1-2H3
• InChIKey: FMUXJQINYPDASI-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• MDL号: MFCD13690842
• PubChem SID: 164324041
• PubChem CID: 43423513

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -0.46517554
• LogD (pH = 7.4): -0.46499622
• Log P: -0.46499395
• 摩尔折射率: 73.7078 cm^3
• 极化性: 27.821163 Å^3
• 极化表面积: 66.92 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): -1.209

产品相关信息

• 纯度: 95%