4-[(5-Cyano-2-fluoro-benzyl)-(1h-indol-5-yl)-amino]-piperidine-1-carboxylic acid tert-butyl ester

HCID 68972722
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCC(N(Cc2cc(C#N)ccc2F)c2ccc3[nH]ccc3c2)CC1
InChIKey
PSVQEGQJVCICPA-UHFFFAOYSA-N
Molecular formula
C26H29FN4O2
Average molar mass
448.5 g/mol

Names & identifiers

Preferred name
4-[(5-Cyano-2-fluoro-benzyl)-(1h-indol-5-yl)-amino]-piperidine-1-carboxylic acid tert-butyl ester
IUPAC
tert-butyl 4-[(5-cyano-2-fluorophenyl)methyl-(1H-indol-5-yl)amino]piperidine-1-carboxylate

Names & synonyms

SCHEMBL4244992PSVQEGQJVCICPA-UHFFFAOYSA-N4-[(5-cyano-2-fluoro-benzyl)-(1h-indol-5-yl)-amino]-piperidine-1-carboxylic acid tert-butyl ester

Database identifiers

PubChem CID
68972722

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
72.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
33

Related reactions

1 records
New reaction record

Linked notes

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