HCID178451883

tert-butyl 4-(3-(1H-tetrazol-5-yl)phenylcarbamoyl)-4-methylpiperidine-1-carboxylate

tert-butyl 4-methyl-4-[[3-(2H-tetrazol-5-yl)phenyl]carbamoyl]piperidine-1-carboxylate

C19H26N6O3386.4 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)(C)OC(=O)N1CCC(C)(C(=O)Nc2cccc(-c3nnn[nH]3)c2)CC1
InChIKey: HOPNTIROJCWNIZ-UHFFFAOYSA-N
分子式: C19H26N6O3
平均分子量: 386.4 g/mol
单同位素质量: 386.20663871

COMPUTED

结构计算性质

已同步

XLogP: 2
极性表面积: 113 Å²
氢键供体: 2
氢键受体: 6
可旋转键: 5
重原子: 28
形式电荷: 0
复杂度: 571

ALIASES

名称与别名

共 4 条

SCHEMBL4302106HOPNTIROJCWNIZ-UHFFFAOYSA-Ntert-butyl 4-(3-(1H-tetrazol-5-yl) phenylcarbamoyl)-4-methylpiperidine-1-carboxylatetert-butyl 4-(3-(1H-tetrazol-5-yl)phenylcarbamoyl)-4-methylpiperidine-1-carboxylate

REACTIONS

参与反应

5 条

uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08193202B2

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uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08193202B2

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

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uspto-grants-2013_05 · 10.6084/m9.figshare.5104873.v1 · US08450332B2

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Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D

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