HCID19689859

4-aminomethyl-N-{2-[4-(4-fluorobenzoyl)piperidino]ethyl}-N-(2-methoxyphenyl)benzamide

4-(aminomethyl)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(2-methoxyphenyl)benzamide

C29H32FN3O3489.6 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1ccccc1N(CCN1CCC(C(=O)c2ccc(F)cc2)CC1)C(=O)c1ccc(CN)cc1
InChIKey: WRVKOLXJWPJWMV-UHFFFAOYSA-N
分子式: C29H32FN3O3
平均分子量: 489.6 g/mol
单同位素质量: 489.24277005

COMPUTED

结构计算性质

已同步

XLogP: 3.7
极性表面积: 75.9 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 9
重原子: 36
形式电荷: 0
复杂度: 698

ALIASES

名称与别名

共 5 条

SCHEMBL8710751WRVKOLXJWPJWMV-UHFFFAOYSA-NL0133614-aminomethyl-N-{2-[4-(4-fluorobenzoyl)piperidino]-ethyl}-N-(2-methoxyphenyl)benzamide4-aminomethyl-N-{2-[4-(4-fluorobenzoyl)piperidino]ethyl}-N-(2-methoxyphenyl)benzamide

REACTIONS

参与反应

4 条

uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05728835

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uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05728835

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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