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2-(Piperidin-4-yloxy)-isoindole-1,3-dione

HCID 21751538
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C1c2ccccc2C(=O)N1OC1CCNCC1
InChIKey
FGBHGODRAWHLKI-UHFFFAOYSA-N
Molecular formula
C13H14N2O3
Average molar mass
246.26 g/mol
Monoisotopic mass
246.10044231

Names & identifiers

Preferred name
2-(Piperidin-4-yloxy)-isoindole-1,3-dione
IUPAC
2-piperidin-4-yloxyisoindole-1,3-dione

Names & synonyms

2-(Piperidin-4-yloxy)-isoindole-1,3-dioneSCHEMBL2184889SCHEMBL32665351FGBHGODRAWHLKI-UHFFFAOYSA-N

Database identifiers

PubChem CID
21751538

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
58.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
18
Formal charge
0
Complexity
328

Related reactions

5 records
New reaction record
HRID 158724 reaction equation
HRID 158724As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 1536328 reaction equation
HRID 1536328As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1556407 reaction equation
HRID 1556407As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 2066895 reaction equation
HRID 2066895As productuspto-grants-2012_10
HRID 2332137 reaction equation
HRID 2332137As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes