4-Hydroxy-7-[1-(tert-butoxycarbonyl)-5-(piperidinomethyl)indol-2-yl]isoindolinone

HCID 68493222

Basic information

Standard SMILES
CC(C)(C)OC(=O)n1c(-c2ccc(O)c3c2C(=O)NC3)cc2cc(CN3CCCCC3)ccc21
InChIKey
BDKCDQCUMUFZRU-UHFFFAOYSA-N
Molecular formula
C27H31N3O4
Average molar mass
461.6 g/mol
Monoisotopic mass
461.23145648

Names & identifiers

Preferred name
4-Hydroxy-7-[1-(tert-butoxycarbonyl)-5-(piperidinomethyl)indol-2-yl]isoindolinone
IUPAC
tert-butyl 2-(7-hydroxy-3-oxo-1,2-dihydroisoindol-4-yl)-5-(piperidin-1-ylmethyl)indole-1-carboxylate

Names & synonyms

SCHEMBL3049701BDKCDQCUMUFZRU-UHFFFAOYSA-N4-hydroxy-7-[1-(tert-butoxycarbonyl)-5-(piperidinomethyl)indol-2-yl]-isoindolinone4-Hydroxy-7-[1-(tert-butoxycarbonyl)-5-(piperidinomethyl)indol-2-yl]isoindolinone

Database identifiers

PubChem CID
68493222

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
83.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
34

Related reactions

69 records

Linked notes

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