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2-{2-[4-(1-Naphthyl)-1-piperazinyl]ethyl}-1H-isoindole-1,3(2H)-dione

HCID 21096932
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C1c2ccccc2C(=O)N1CCN1CCN(c2cccc3ccccc23)CC1
InChIKey
RAVWWPAXORZSJA-UHFFFAOYSA-N
Molecular formula
C24H23N3O2
Average molar mass
385.5 g/mol

Names & identifiers

Preferred name
2-{2-[4-(1-Naphthyl)-1-piperazinyl]ethyl}-1H-isoindole-1,3(2H)-dione
IUPAC
2-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]isoindole-1,3-dione

Names & synonyms

SCHEMBL239612RAVWWPAXORZSJA-UHFFFAOYSA-N2-{2-[4-(1-Naphthyl)-1-piperazinyl]ethyl}-1H-isoindole-1,3(2H)-dione

Database identifiers

PubChem CID
21096932

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
43.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
29
Formal charge
0
Complexity
591

Related reactions

6 records
New reaction record
HRID 90725 reaction equation
HRID 90725As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 956854 reaction equation
HRID 956854As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1350553 reaction equation
HRID 1350553As productuspto-grants-2007_05
HRID 1350554 reaction equation
HRID 1350554As reactantuspto-grants-2007_05
HRID 1663022 reaction equation
HRID 1663022As productuspto-grants-2011_10
HRID 1663023 reaction equation
HRID 1663023As reactantuspto-grants-2011_10

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes