HCID86602121

tert-Butyl [{1-(2-benzyloxycarbonyl-2-methylpropyl)piperidin-4-yl}methyl]carbamate

benzyl 2,2-dimethyl-3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]propanoate

C23H36N2O4404.5 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)(C)OC(=O)NCC1CCN(CC(C)(C)C(=O)OCc2ccccc2)CC1
InChIKey: SBEIJPVMSLLQKA-UHFFFAOYSA-N
分子式: C23H36N2O4
平均分子量: 404.5 g/mol
单同位素质量: 404.26750763

COMPUTED

结构计算性质

已同步

XLogP: 4
极性表面积: 67.9 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 10
重原子: 29
形式电荷: 0
复杂度: 527

ALIASES

名称与别名

共 3 条

SBEIJPVMSLLQKA-UHFFFAOYSA-Ntert-Butyl [{1-(2-benzyloxycarbonyl-2-methylpropyl)piperidin-4-yl}methyl]carbamatetert-butyl[{1-(2-benzyloxycarbonyl-2-methylpropyl)piperidin-4-yl}methyl]carbamate

REACTIONS

参与反应

6 条

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07737163B2

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uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07737163B2

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uspto-grants-2010_04 · 10.6084/m9.figshare.5104873.v1 · US07705020B2

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uspto-grants-2010_04 · 10.6084/m9.figshare.5104873.v1 · US07705020B2

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Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

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