2-(Ethyloxy)-2-oxoethyl 4-{5-[4-(trifluoromethyl)phenyl]-2-pyridyl}-1-piperazinecarboxylate

HCID 60209552

Basic information

Standard SMILES
CCOC(=O)COC(=O)N1CCN(c2ccc(-c3ccc(C(F)(F)F)cc3)cn2)CC1
InChIKey
AUWIXJQHLICNPT-UHFFFAOYSA-N
Molecular formula
C21H22F3N3O4
Average molar mass
437.4 g/mol
Monoisotopic mass
437.15624068

Names & identifiers

Preferred name
2-(Ethyloxy)-2-oxoethyl 4-{5-[4-(trifluoromethyl)phenyl]-2-pyridyl}-1-piperazinecarboxylate
IUPAC
(2-ethoxy-2-oxoethyl) 4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine-1-carboxylate

Names & synonyms

2-(ethyloxy)-2-oxoethyl 4-{5-[4-(trifluoromethyl)phenyl]-2-pyridyl}-1-piperazinecarboxylateSCHEMBL5935242-(ethyloxy)-2-oxoethyl 4-{5-[4-(trifluoromethyl)-phenyl]-2-pyridyl}-1-piperazinecarboxylate2-(ethyloxy)-2-oxoethyl 4-{5-[4-(trifluoromethyl)phenyl]-2-pyridyl}-1-piperazine-carboxylate

Database identifiers

PubChem CID
60209552

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
72 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
7
Heavy atoms
31

Related reactions

7 records

Compound notes

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