HCID718014

(3-Methyl-4-nitrophenyl)-(4-methylpiperazin-1-yl)methanone

C13H17N3O3263.29 g/mol

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IDENTITY

结构与身份

标准SMILES: Cc1cc(C(=O)N2CCN(C)CC2)ccc1[N+](=O)[O-]
InChIKey: GOYMFLDMEUPCBZ-UHFFFAOYSA-N
分子式: C13H17N3O3
平均分子量: 263.29 g/mol
单同位素质量: 263.12699141

COMPUTED

结构计算性质

已同步

XLogP: 1.4
极性表面积: 69.4 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 1
重原子: 19
形式电荷: 0
复杂度: 348

ALIASES

名称与别名

共 21 条

(3-methyl-4-nitrophenyl)-(4-methylpiperazin-1-yl)methanone349399-06-0(3-methyl-4-nitrophenyl)(4-methylpiperazin-1-yl)methanoneCBMicro_009069Cambridge id 56524901-methyl-4-(3-methyl-4-nitrobenzoyl)piperazineOprea1_459771SCHEMBL2946066GOYMFLDMEUPCBZ-UHFFFAOYSA-NSMSF0006662STK050369AKOS001649445CCG-324140BIM-0009179.P001DB-189721EU-0009861ST506889983-methyl-4-nitrophenyl 4-methylpiperazinyl ketoneSR-01000215931SR-01000215931-1

REACTIONS

参与反应

4 条

uspto-grants-2015_08 · 10.6084/m9.figshare.5104873.v1 · US09096614B2

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uspto-grants-2013_06 · 10.6084/m9.figshare.5104873.v1 · US08470830B2

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uspto-grants-2013_06 · 10.6084/m9.figshare.5104873.v1 · US08470830B2

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

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