1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-one

C10H12F3N3O — CID 172584198

IUPAC1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-one
SMILESCn1cc(C(F)(F)F)nc1N1CCC(=O)CC1
InChIInChI=1S/C10H12F3N3O/c1-15-6-8(10(11,12)13)14-9(15)16-4-2-7(17)3-5-16/h6H,2-5H2,1H3
InChIKeyYXFKNAXDCCBEFG-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.61
Rot. Bonds1

About 1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-one

1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-one (PubChem CID 172584198) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-one.

Molecular Properties

Compound Name1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-one
PubChem CID172584198
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-one
SMILESCn1cc(C(F)(F)F)nc1N1CCC(=O)CC1
InChIInChI=1S/C10H12F3N3O/c1-15-6-8(10(11,12)13)14-9(15)16-4-2-7(17)3-5-16/h6H,2-5H2,1H3
InChIKeyYXFKNAXDCCBEFG-UHFFFAOYSA-N
XLogP1.61
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-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

1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-ol
CID 172584100
1-[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]ethanamine
CID 172584108
2-tert-butyl-1-methyl-4-(trifluoromethyl)imidazole
CID 15500426
2-chloro-N-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methyl]-5-nitropyrimidin-4-amine
CID 165135292
2-chloro-5-methoxy-N-[[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-amine
CID 175444724
2-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]propanoic acid
CID 83849784
2,2,2-trifluoro-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanol
CID 172585714
2,6-difluoro-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3,4-dihydropyridine
CID 162563501
1-methyl-2-pyrrolidin-1-ylimidazole-4-carboxylic acid
CID 117189298
4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]cyclohexan-1-one
CID 168907313
3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1-(oxetan-3-ylsulfonyl)piperidine
CID 154795526
2-[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 129351066

Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-one?
The IUPAC name of 1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-one (CID 172584198) is 1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-one.
What is the SMILES notation for 1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-one?
The canonical SMILES for 1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-one is Cn1cc(C(F)(F)F)nc1N1CCC(=O)CC1.
What is the InChIKey of 1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-one?
The InChIKey is YXFKNAXDCCBEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c1-15-6-8(10(11,12)13)14-9(15)16-4-2-7(17)3-5-16/h6H,2-5H2,1H3.
What are the key properties of 1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-one?
1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-one has a molecular weight of 247.22 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-one is sourced from PubChem (CID 172584198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).