1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one

C12H15F3N4O — CID 133285377

IUPAC1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H15F3N4O/c1-2-10(20)18-5-7-19(8-6-18)11-16-4-3-9(17-11)12(13,14)15/h3-4H,2,5-8H2,1H3
InChIKeyJGDJXSQBQFEGFY-UHFFFAOYSA-N
MW288.27 g/mol
LogP1.55
Rot. Bonds2

About 1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one

1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one (PubChem CID 133285377) has the molecular formula C12H15F3N4O and a molecular weight of 288.27 g/mol. Its IUPAC name is 1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one
PubChem CID133285377
Molecular FormulaC12H15F3N4O
Molecular Weight288.27 g/mol
Exact Mass288.12
IUPAC Name1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H15F3N4O/c1-2-10(20)18-5-7-19(8-6-18)11-16-4-3-9(17-11)12(13,14)15/h3-4H,2,5-8H2,1H3
InChIKeyJGDJXSQBQFEGFY-UHFFFAOYSA-N
XLogP1.55
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Piperazin-1-yl)-4-(trifluoromethyl)pyrimidine
CID 2778334
1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)pyrimidin-2(1H)-one
CID 10252580
2,2,2-Trifluoro-1-(4-pyrimidin-2-ylpiperazinyl)ethan-1-one
CID 753091
1-[4-(Trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 2777795
2-(4-Propionyl 1-piperazinyl)pyrimidine
CID 5134239
N,N-dimethyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-sulfonamide
CID 9819260
2-(Piperazin-1-yl)-4-(trifluoromethyl)pyrimidine dihydrochloride
CID 138040796
N-tert-butyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-carboxamide
CID 2796053
Tert-butyl 4-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carbonyl]piperazine-1-carboxylate
CID 2796310
[5-(Trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone
CID 2810209
1-Cyclohexyl-3-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]urea
CID 2810981
N-Ethyl-N-{1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-YL]pyrrolidin-3-YL}acetamide
CID 56865162

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one (CID 133285377) is 1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(c2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one?
The InChIKey is JGDJXSQBQFEGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O/c1-2-10(20)18-5-7-19(8-6-18)11-16-4-3-9(17-11)12(13,14)15/h3-4H,2,5-8H2,1H3.
What are the key properties of 1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one?
1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one has a molecular weight of 288.27 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 133285377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).