1-(4-acetylpiperazin-1-yl)-2-[4-(trifluoromethyl)anilino]ethanone

C15H18F3N3O2 — CID 108996185

IUPAC1-(4-acetylpiperazin-1-yl)-2-[4-(trifluoromethyl)anilino]ethanone
SMILESCC(=O)N1CCN(C(=O)CNc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C15H18F3N3O2/c1-11(22)20-6-8-21(9-7-20)14(23)10-19-13-4-2-12(3-5-13)15(16,17)18/h2-5,19H,6-10H2,1H3
InChIKeyDYOZQMJOFTXJHN-UHFFFAOYSA-N
MW329.32 g/mol
LogP1.81
Rot. Bonds3

About 1-(4-acetylpiperazin-1-yl)-2-[4-(trifluoromethyl)anilino]ethanone

1-(4-acetylpiperazin-1-yl)-2-[4-(trifluoromethyl)anilino]ethanone (PubChem CID 108996185) has the molecular formula C15H18F3N3O2 and a molecular weight of 329.32 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-[4-(trifluoromethyl)anilino]ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-[4-(trifluoromethyl)anilino]ethanone
PubChem CID108996185
Molecular FormulaC15H18F3N3O2
Molecular Weight329.32 g/mol
Exact Mass329.14
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-[4-(trifluoromethyl)anilino]ethanone
SMILESCC(=O)N1CCN(C(=O)CNc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C15H18F3N3O2/c1-11(22)20-6-8-21(9-7-20)14(23)10-19-13-4-2-12(3-5-13)15(16,17)18/h2-5,19H,6-10H2,1H3
InChIKeyDYOZQMJOFTXJHN-UHFFFAOYSA-N
XLogP1.81
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-(trifluoromethyl)anilino]ethanone
CID 51183110
1-(4-acetylpiperazin-1-yl)-2-[4-(dimethylamino)anilino]ethanone
CID 108996192
1-(4-acetylpiperazin-1-yl)-2-(3,4-difluoroanilino)ethanone
CID 108996222
1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-[4-(trifluoromethyl)anilino]ethanone
CID 51484112
4-[[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]ethyl]amino]benzonitrile
CID 78841844
1-(4-acetylpiperazin-1-yl)-2-(3,5-dimethylanilino)ethanone
CID 108996155
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-tert-butylbenzamide
CID 34839400
4-methyl-1-[4-[2-[3-(trifluoromethyl)anilino]acetyl]piperazin-1-yl]pentan-1-one
CID 56552591
N-[5-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylphenyl]acetamide
CID 60536365
2-[4-methyl-3-(trifluoromethyl)anilino]-1-pyrrolidin-1-ylethanone
CID 60703975
1-(4-acetylpiperazin-1-yl)-2-(3-chloroanilino)ethanone
CID 108996168
(2S)-1-[2-[4-(trifluoromethyl)anilino]acetyl]pyrrolidine-2-carboxamide
CID 143897244

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[4-(trifluoromethyl)anilino]ethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[4-(trifluoromethyl)anilino]ethanone (CID 108996185) is 1-(4-acetylpiperazin-1-yl)-2-[4-(trifluoromethyl)anilino]ethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-[4-(trifluoromethyl)anilino]ethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-[4-(trifluoromethyl)anilino]ethanone is CC(=O)N1CCN(C(=O)CNc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-[4-(trifluoromethyl)anilino]ethanone?
The InChIKey is DYOZQMJOFTXJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O2/c1-11(22)20-6-8-21(9-7-20)14(23)10-19-13-4-2-12(3-5-13)15(16,17)18/h2-5,19H,6-10H2,1H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-[4-(trifluoromethyl)anilino]ethanone?
1-(4-acetylpiperazin-1-yl)-2-[4-(trifluoromethyl)anilino]ethanone has a molecular weight of 329.32 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-[4-(trifluoromethyl)anilino]ethanone is sourced from PubChem (CID 108996185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).