HCID9964799

Methyl 2-(acetylamino)-3-(4-methyl-piperazinyl)propanoate

methyl 2-acetamido-3-(4-methylpiperazin-1-yl)propanoate

C11H21N3O3243.3 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)C(CN1CCN(C)CC1)NC(C)=O
InChIKey: UQCNODWVBYAJPP-UHFFFAOYSA-N
分子式: C11H21N3O3
平均分子量: 243.3 g/mol
单同位素质量: 243.15829154

COMPUTED

结构计算性质

已同步

XLogP: -0.7
极性表面积: 61.9 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 5
重原子: 17
形式电荷: 0
复杂度: 275

ALIASES

名称与别名

共 5 条

SCHEMBL5377379UQCNODWVBYAJPP-UHFFFAOYSA-NAKOS014779206methyl (acetylamino)-3-(4-methyl-piperazin-1-yl)propanoatemethyl 2-(acetylamino)-3-(4-methyl-piperazinyl)propanoate

REACTIONS

相关反应

8 条

uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06699867B2

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uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06699867B2

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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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

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uspto-grants-2005_10 · 10.6084/m9.figshare.5104873.v1 · US06953796B2

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uspto-grants-2005_10 · 10.6084/m9.figshare.5104873.v1 · US06953796B2

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uspto-grants-2007_06 · 10.6084/m9.figshare.5104873.v1 · US07227022B2

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uspto-grants-2007_06 · 10.6084/m9.figshare.5104873.v1 · US07227022B2

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