4-[2-Carbamoyl-1-(4-fluoro-benzyl)-1H-indol-4-yl]-piperazine-1-carboxylic acid tert-butyl ester

HCID 59344902
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCN(c2cccc3c2cc(C(N)=O)n3Cc2ccc(F)cc2)CC1
InChIKey
UWPIOMUHQFISSM-UHFFFAOYSA-N
Molecular formula
C25H29FN4O3
Average molar mass
452.5 g/mol
Monoisotopic mass
452.22236896

Names & identifiers

Preferred name
4-[2-Carbamoyl-1-(4-fluoro-benzyl)-1H-indol-4-yl]-piperazine-1-carboxylic acid tert-butyl ester
IUPAC
tert-butyl 4-[2-carbamoyl-1-[(4-fluorophenyl)methyl]indol-4-yl]piperazine-1-carboxylate

Names & synonyms

SCHEMBL3302048UWPIOMUHQFISSM-UHFFFAOYSA-N4-[2-Carbamoyl-1-(4-fluoro-benzyl)-1H-indol-4-yl]-piperazine-1-carboxylic acid tert-butyl ester

Database identifiers

PubChem CID
59344902

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
80.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
33

Related reactions

2 records
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Compound notes

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