3-[3-oxo-7-[[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione

HCID 53353508
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Basic information

Standard SMILES
O=C1CCC(N2Cc3c(OCc4ccc(CN5CCC(C(F)(F)F)CC5)cc4)cccc3C2=O)C(=O)N1
InChIKey
JXIAZCAMKCEWTF-UHFFFAOYSA-N
Molecular formula
C27H28F3N3O4
Average molar mass
515.5 g/mol
Monoisotopic mass
515.20319087

Names & identifiers

Preferred name
3-[3-oxo-7-[[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
IUPAC
3-[3-oxo-7-[[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione

Names & synonyms

SCHEMBL2250989CHEMBL4641342SCHEMBL29790787JXIAZCAMKCEWTF-UHFFFAOYSA-N3-[3-oxo-7-[[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione

Database identifiers

PubChem CID
53353508
ChEMBL
CHEMBL4641342

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
79 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
6
Heavy atoms
37

Related reactions

2 records
New reaction record

Compound notes

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