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

C12H16F3N3O — CID 172584044

IUPAC1-[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]ethanone
SMILESCC(=O)C1CCN(c2nc(C(F)(F)F)cn2C)CC1
InChIInChI=1S/C12H16F3N3O/c1-8(19)9-3-5-18(6-4-9)11-16-10(7-17(11)2)12(13,14)15/h7,9H,3-6H2,1-2H3
InChIKeyVSTWNEOFFXGVOK-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.24
Rot. Bonds2

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

1-[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]ethanone (PubChem CID 172584044) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 1-[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]ethanone
PubChem CID172584044
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name1-[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]ethanone
SMILESCC(=O)C1CCN(c2nc(C(F)(F)F)cn2C)CC1
InChIInChI=1S/C12H16F3N3O/c1-8(19)9-3-5-18(6-4-9)11-16-10(7-17(11)2)12(13,14)15/h7,9H,3-6H2,1-2H3
InChIKeyVSTWNEOFFXGVOK-UHFFFAOYSA-N
XLogP2.24
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]ethanone?
The IUPAC name of 1-[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]ethanone (CID 172584044) is 1-[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]ethanone.
What is the SMILES notation for 1-[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]ethanone?
The canonical SMILES for 1-[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]ethanone is CC(=O)C1CCN(c2nc(C(F)(F)F)cn2C)CC1.
What is the InChIKey of 1-[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]ethanone?
The InChIKey is VSTWNEOFFXGVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-8(19)9-3-5-18(6-4-9)11-16-10(7-17(11)2)12(13,14)15/h7,9H,3-6H2,1-2H3.
What are the key properties of 1-[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]ethanone?
1-[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]ethanone has a molecular weight of 275.27 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]ethanone is sourced from PubChem (CID 172584044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).