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Ethyl 4-methyl-2-[[4-(4-oxopiperidin-1-yl)benzoyl]amino]pentanoate (HCID 85189307)|Huagongshe
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Compound
Ethyl 4-methyl-2-[[4-(4-oxopiperidin-1-yl)benzoyl]amino]pentanoate
HCID
85189307
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CCOC(=O)C(CC(C)C)NC(=O)c1ccc(N2CCC(=O)CC2)cc1
InChIKey
GLQGRFSUXDUCKX-UHFFFAOYSA-N
Molecular formula
C20H28N2O4
Average molar mass
360.4 g/mol
Monoisotopic mass
360.20490738
Names & identifiers
Preferred name
Ethyl 4-methyl-2-[[4-(4-oxopiperidin-1-yl)benzoyl]amino]pentanoate
IUPAC
ethyl 4-methyl-2-[[4-(4-oxopiperidin-1-yl)benzoyl]amino]pentanoate
Names & synonyms
SCHEMBL27580966
Database identifiers
PubChem CID
85189307
Properties
Computed structural properties
XLogP
2.8
Topological polar surface area
75.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
26
Formal charge
0
Complexity
488
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
122211
As product
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
1135995
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Compound notes
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