2-methyl-1-[4-[3-methyl-5-(trifluoromethyl)imidazol-4-yl]piperazin-1-yl]propan-1-one

C13H19F3N4O — CID 176811311

IUPAC2-methyl-1-[4-[3-methyl-5-(trifluoromethyl)imidazol-4-yl]piperazin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCN(c2c(C(F)(F)F)ncn2C)CC1
InChIInChI=1S/C13H19F3N4O/c1-9(2)12(21)20-6-4-19(5-7-20)11-10(13(14,15)16)17-8-18(11)3/h8-9H,4-7H2,1-3H3
InChIKeyKXCWRKLIKDODFV-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.74
Rot. Bonds2

About 2-methyl-1-[4-[3-methyl-5-(trifluoromethyl)imidazol-4-yl]piperazin-1-yl]propan-1-one

2-methyl-1-[4-[3-methyl-5-(trifluoromethyl)imidazol-4-yl]piperazin-1-yl]propan-1-one (PubChem CID 176811311) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is 2-methyl-1-[4-[3-methyl-5-(trifluoromethyl)imidazol-4-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-[3-methyl-5-(trifluoromethyl)imidazol-4-yl]piperazin-1-yl]propan-1-one
PubChem CID176811311
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name2-methyl-1-[4-[3-methyl-5-(trifluoromethyl)imidazol-4-yl]piperazin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCN(c2c(C(F)(F)F)ncn2C)CC1
InChIInChI=1S/C13H19F3N4O/c1-9(2)12(21)20-6-4-19(5-7-20)11-10(13(14,15)16)17-8-18(11)3/h8-9H,4-7H2,1-3H3
InChIKeyKXCWRKLIKDODFV-UHFFFAOYSA-N
XLogP1.74
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one
CID 2781743
2-methyl-1-[4-(3-methylimidazol-4-yl)piperazin-1-yl]propan-1-one
CID 176811378
2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 3485569
(2S)-2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 35524476
2-methyl-1-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]propan-1-one
CID 71844755
1-[4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 35757436
2-methyl-1-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 122340964
2-amino-3,3,3-trifluoro-2-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]propan-1-one
CID 79805487
1-[4-(5-fluoro-2-pyridinyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 176935100
2-methyl-1-[4-(2,2,3,3-tetrafluoropropanoyl)piperazin-1-yl]propan-1-one
CID 103732065
1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid
CID 151869639
2-methyl-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]propan-1-one
CID 113076267

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[3-methyl-5-(trifluoromethyl)imidazol-4-yl]piperazin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-[3-methyl-5-(trifluoromethyl)imidazol-4-yl]piperazin-1-yl]propan-1-one (CID 176811311) is 2-methyl-1-[4-[3-methyl-5-(trifluoromethyl)imidazol-4-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-[3-methyl-5-(trifluoromethyl)imidazol-4-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-[3-methyl-5-(trifluoromethyl)imidazol-4-yl]piperazin-1-yl]propan-1-one is CC(C)C(=O)N1CCN(c2c(C(F)(F)F)ncn2C)CC1.
What is the InChIKey of 2-methyl-1-[4-[3-methyl-5-(trifluoromethyl)imidazol-4-yl]piperazin-1-yl]propan-1-one?
The InChIKey is KXCWRKLIKDODFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-9(2)12(21)20-6-4-19(5-7-20)11-10(13(14,15)16)17-8-18(11)3/h8-9H,4-7H2,1-3H3.
What are the key properties of 2-methyl-1-[4-[3-methyl-5-(trifluoromethyl)imidazol-4-yl]piperazin-1-yl]propan-1-one?
2-methyl-1-[4-[3-methyl-5-(trifluoromethyl)imidazol-4-yl]piperazin-1-yl]propan-1-one has a molecular weight of 304.32 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[3-methyl-5-(trifluoromethyl)imidazol-4-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 176811311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).