1-[3-(2,4,5-Trifluorophenyl)propyl]-3-(4-tert-butoxycarbonyl-1-piperazinyl)-2(1H)-pyrazinone

HCID 69366136
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCN(c2nccn(CCCc3cc(F)c(F)cc3F)c2=O)CC1
InChIKey
LUNLDLCPUPCSPE-UHFFFAOYSA-N
Molecular formula
C22H27F3N4O3
Average molar mass
452.5 g/mol

Names & identifiers

Preferred name
1-[3-(2,4,5-Trifluorophenyl)propyl]-3-(4-tert-butoxycarbonyl-1-piperazinyl)-2(1H)-pyrazinone
IUPAC
tert-butyl 4-[3-oxo-4-[3-(2,4,5-trifluorophenyl)propyl]pyrazin-2-yl]piperazine-1-carboxylate

Names & synonyms

SCHEMBL5237925LUNLDLCPUPCSPE-UHFFFAOYSA-N1-[3-(2,4,5-Trifluorophenyl)propyl]-3-(4-tert-butoxycarbonyl-1-piperazinyl)-2(1H)-pyrazinone

Database identifiers

PubChem CID
69366136

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
65.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
32

Related reactions

2 records
New reaction record

Compound notes

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