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(N-{[2-(2,6-dioxo(3-piperidyl))-1,3-dioxoisoindolin-4-yl]methyl}carbamoyl)methyl acetate

HCID 10134793
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)OCC(=O)NCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIKey
OBBCQKHWPYKEMI-UHFFFAOYSA-N
Molecular formula
C18H17N3O7
Average molar mass
387.3 g/mol
Monoisotopic mass
387.10664989

Names & identifiers

Preferred name
(N-{[2-(2,6-dioxo(3-piperidyl))-1,3-dioxoisoindolin-4-yl]methyl}carbamoyl)methyl acetate
IUPAC
[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methylamino]-2-oxoethyl] acetate

Names & synonyms

SCHEMBL2381318OBBCQKHWPYKEMI-UHFFFAOYSA-N(N-{[2-(2,6-dioxo(3-piperidyl))-1,3-dioxoisoindolin-4-yl]methyl}carbamoyl)methyl acetate

Database identifiers

PubChem CID
10134793

Properties

Computed structural properties

XLogP
-0.6
Topological polar surface area
139 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
28
Formal charge
0
Complexity
735

Related reactions

4 records
New reaction record
HRID 9975 reaction equation
HRID 9975As productuspto-grants-2006_08
HRID 214195 reaction equation
HRID 214195As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 906717 reaction equation
HRID 906717As productuspto-grants-2011_09
HRID 2103480 reaction equation
HRID 2103480As productuspto-grants-2009_08

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes