3,3-dimethyl-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]-1H-quinoxalin-2-one

C23H25F3N4O2 — CID 31629615

IUPAC3,3-dimethyl-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]-1H-quinoxalin-2-one
SMILESCC1(C)C(=O)Nc2ccccc2N1C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C23H25F3N4O2/c1-22(2)21(32)27-18-8-3-4-9-19(18)30(22)20(31)15-28-10-12-29(13-11-28)17-7-5-6-16(14-17)23(24,25)26/h3-9,14H,10-13,15H2,1-2H3,(H,27,32)
InChIKeyGHKZYJKDABQTHI-UHFFFAOYSA-N
MW446.47 g/mol
LogP3.59
Rot. Bonds3

About 3,3-dimethyl-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]-1H-quinoxalin-2-one

3,3-dimethyl-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]-1H-quinoxalin-2-one (PubChem CID 31629615) has the molecular formula C23H25F3N4O2 and a molecular weight of 446.47 g/mol. Its IUPAC name is 3,3-dimethyl-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]-1H-quinoxalin-2-one
PubChem CID31629615
Molecular FormulaC23H25F3N4O2
Molecular Weight446.47 g/mol
Exact Mass446.19
IUPAC Name3,3-dimethyl-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]-1H-quinoxalin-2-one
SMILESCC1(C)C(=O)Nc2ccccc2N1C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C23H25F3N4O2/c1-22(2)21(32)27-18-8-3-4-9-19(18)30(22)20(31)15-28-10-12-29(13-11-28)17-7-5-6-16(14-17)23(24,25)26/h3-9,14H,10-13,15H2,1-2H3,(H,27,32)
InChIKeyGHKZYJKDABQTHI-UHFFFAOYSA-N
XLogP3.59
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-4-[2-[4-(2-methylphenyl)piperazin-1-yl]acetyl]-1H-quinoxalin-2-one
CID 8725457
3,3-dimethyl-4-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetyl]-1H-quinoxalin-2-one
CID 16573038
3,3-dimethyl-4-[2-[(3R)-3-methylpiperidin-1-yl]acetyl]-1H-quinoxalin-2-one
CID 8903306
1-[4-(2-nitrophenyl)piperazin-1-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 55437125
1-[(Z)-2-methyl-3-phenylprop-2-enyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 1376188
N-(1-phenylethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 22199208
1-(4-cyclobutylpiperazin-1-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 57442446
(4R)-4-methyl-5-[2-(4-phenylpiperazin-1-yl)acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 7085206
N-[2-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 22199190
N-(2-methyl-4-oxopentan-3-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 51111743
4-methyl-3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-imidazol-2-one
CID 143125296
N-(2-fluorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]-1H-quinoxalin-2-one?
The IUPAC name of 3,3-dimethyl-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]-1H-quinoxalin-2-one (CID 31629615) is 3,3-dimethyl-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3,3-dimethyl-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3,3-dimethyl-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]-1H-quinoxalin-2-one is CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 3,3-dimethyl-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]-1H-quinoxalin-2-one?
The InChIKey is GHKZYJKDABQTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O2/c1-22(2)21(32)27-18-8-3-4-9-19(18)30(22)20(31)15-28-10-12-29(13-11-28)17-7-5-6-16(14-17)23(24,25)26/h3-9,14H,10-13,15H2,1-2H3,(H,27,32).
What are the key properties of 3,3-dimethyl-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]-1H-quinoxalin-2-one?
3,3-dimethyl-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]-1H-quinoxalin-2-one has a molecular weight of 446.47 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 31629615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).