Tert-butyl 4-[[3,5-bis(trifluoromethyl)benzoyl]amino]-3-(4-bromophenyl)piperidine-1-carboxylate

HCID 89176280
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCC(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(c2ccc(Br)cc2)C1
InChIKey
MJAIHJARYFCJKC-UHFFFAOYSA-N
Molecular formula
C25H25BrF6N2O3
Average molar mass
595.4 g/mol
Monoisotopic mass
594.09527

Names & identifiers

Preferred name
Tert-butyl 4-[[3,5-bis(trifluoromethyl)benzoyl]amino]-3-(4-bromophenyl)piperidine-1-carboxylate
IUPAC
tert-butyl 4-[[3,5-bis(trifluoromethyl)benzoyl]amino]-3-(4-bromophenyl)piperidine-1-carboxylate

Names & synonyms

SCHEMBL13814605

Database identifiers

PubChem CID
89176280

Properties

Computed structural properties

XLogP
6.5
Topological polar surface area
58.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
5
Heavy atoms
37

Related reactions

1 records
New reaction record

Linked notes

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