1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]quinoxalin-2-one

C22H23F3N4O — CID 139617050

IUPAC1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]quinoxalin-2-one
SMILESO=c1cnc2ccccc2n1CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C22H23F3N4O/c23-22(24,25)17-5-3-6-18(15-17)28-13-11-27(12-14-28)9-4-10-29-20-8-2-1-7-19(20)26-16-21(29)30/h1-3,5-8,15-16H,4,9-14H2
InChIKeyHJRQZLWQMNBVBQ-UHFFFAOYSA-N
MW416.45 g/mol
LogP3.63
Rot. Bonds5

About 1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]quinoxalin-2-one

1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]quinoxalin-2-one (PubChem CID 139617050) has the molecular formula C22H23F3N4O and a molecular weight of 416.45 g/mol. Its IUPAC name is 1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]quinoxalin-2-one.

Molecular Properties

Compound Name1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]quinoxalin-2-one
PubChem CID139617050
Molecular FormulaC22H23F3N4O
Molecular Weight416.45 g/mol
Exact Mass416.18
IUPAC Name1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]quinoxalin-2-one
SMILESO=c1cnc2ccccc2n1CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C22H23F3N4O/c23-22(24,25)17-5-3-6-18(15-17)28-13-11-27(12-14-28)9-4-10-29-20-8-2-1-7-19(20)26-16-21(29)30/h1-3,5-8,15-16H,4,9-14H2
InChIKeyHJRQZLWQMNBVBQ-UHFFFAOYSA-N
XLogP3.63
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]quinoxalin-2-one
CID 139617099
1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]quinoxalin-2-one
CID 139617076
1-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]quinoxalin-2-one
CID 139617041
1-ethyl-3-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]benzimidazol-2-one
CID 59144857
3-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]pyrimido[5,4-c]quinolin-4-one
CID 53377137
3-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]hexyl]-1H-benzimidazol-2-one
CID 23369442
1-(2-methoxyethyl)-3-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]benzimidazol-2-one
CID 10277233
1-methyl-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzimidazole
CID 22958604
3,7-dimethyl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]purine-2,6-dione
CID 15571894
N-quinolin-3-yl-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pentanamide
CID 162787974
3,3-diphenyl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]piperidin-2-one
CID 67359428
1-hexyl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3317565

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]quinoxalin-2-one?
The IUPAC name of 1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]quinoxalin-2-one (CID 139617050) is 1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]quinoxalin-2-one.
What is the SMILES notation for 1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]quinoxalin-2-one?
The canonical SMILES for 1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]quinoxalin-2-one is O=c1cnc2ccccc2n1CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]quinoxalin-2-one?
The InChIKey is HJRQZLWQMNBVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O/c23-22(24,25)17-5-3-6-18(15-17)28-13-11-27(12-14-28)9-4-10-29-20-8-2-1-7-19(20)26-16-21(29)30/h1-3,5-8,15-16H,4,9-14H2.
What are the key properties of 1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]quinoxalin-2-one?
1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]quinoxalin-2-one has a molecular weight of 416.45 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]quinoxalin-2-one is sourced from PubChem (CID 139617050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).