2-(((2S,3R)-1-(Isoquinoline-1-carbonyl)-3-methylpiperidin-2-yl)methyl)isoindoline-1,3-dione

HCID 117727623
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Basic information

Standard SMILES
C[C@@H]1CCCN(C(=O)c2nccc3ccccc23)[C@@H]1CN1C(=O)c2ccccc2C1=O
InChIKey
GEGFVZUJGJLCDS-IIBYNOLFSA-N
Molecular formula
C25H23N3O3
Average molar mass
413.5 g/mol
Monoisotopic mass
413.1739416

Names & identifiers

Preferred name
2-(((2S,3R)-1-(Isoquinoline-1-carbonyl)-3-methylpiperidin-2-yl)methyl)isoindoline-1,3-dione
IUPAC
2-[[(2S,3R)-1-(isoquinoline-1-carbonyl)-3-methylpiperidin-2-yl]methyl]isoindole-1,3-dione

Names & synonyms

SCHEMBL16277269GEGFVZUJGJLCDS-IIBYNOLFSA-N2-(((2S,3R)-1-(Isoquinoline-1-carbonyl)-3-methylpiperidin-2-yl)methyl)isoindoline-1,3-dione

Database identifiers

PubChem CID
117727623

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
70.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
31

Related reactions

2 records
New reaction record

Linked notes

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