4-{5-[(3,5-Bis-trifluoromethyl-benzyl)-methyl-carbamoyl]-4-o-tolyl-pyridin-2-yl}-piperazine-1-carboxylic acid tert-butyl ester

HCID 9852319
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1ccccc1-c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey
ZEXSQXODARXCKB-UHFFFAOYSA-N
Molecular formula
C32H34F6N4O3
Average molar mass
636.6 g/mol
Monoisotopic mass
636.25350993

Names & identifiers

Preferred name
4-{5-[(3,5-Bis-trifluoromethyl-benzyl)-methyl-carbamoyl]-4-o-tolyl-pyridin-2-yl}-piperazine-1-carboxylic acid tert-butyl ester
IUPAC
tert-butyl 4-[5-[[3,5-bis(trifluoromethyl)phenyl]methyl-methylcarbamoyl]-4-(2-methylphenyl)-2-pyridinyl]piperazine-1-carboxylate

Names & synonyms

4-{5-[(3,5-bis-trifluoromethyl-benzyl)-methyl-carbamoyl]-4-o-tolyl-pyridin-2-yl}-piperazine-1-carboxylic acid tert-butyl esterSCHEMBL905332

Database identifiers

PubChem CID
9852319

Properties

Computed structural properties

XLogP
6.7
Topological polar surface area
66 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
11
Rotatable bonds
7
Heavy atoms
45

Related reactions

9 records
New reaction record

Compound notes

Loading…