2,2,2-trifluoro-1-[4-(imidazole-1-carbonyl)piperazin-1-yl]ethanone

C10H11F3N4O2 — CID 154652225

IUPAC2,2,2-trifluoro-1-[4-(imidazole-1-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(N1CCN(C(=O)C(F)(F)F)CC1)n1ccnc1
InChIInChI=1S/C10H11F3N4O2/c11-10(12,13)8(18)15-3-5-16(6-4-15)9(19)17-2-1-14-7-17/h1-2,7H,3-6H2
InChIKeyPXDFFBDGCTVZNU-UHFFFAOYSA-N
MW276.22 g/mol
LogP0.56
Rot. Bonds

About 2,2,2-trifluoro-1-[4-(imidazole-1-carbonyl)piperazin-1-yl]ethanone

2,2,2-trifluoro-1-[4-(imidazole-1-carbonyl)piperazin-1-yl]ethanone (PubChem CID 154652225) has the molecular formula C10H11F3N4O2 and a molecular weight of 276.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-(imidazole-1-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-(imidazole-1-carbonyl)piperazin-1-yl]ethanone
PubChem CID154652225
Molecular FormulaC10H11F3N4O2
Molecular Weight276.22 g/mol
Exact Mass276.08
IUPAC Name2,2,2-trifluoro-1-[4-(imidazole-1-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(N1CCN(C(=O)C(F)(F)F)CC1)n1ccnc1
InChIInChI=1S/C10H11F3N4O2/c11-10(12,13)8(18)15-3-5-16(6-4-15)9(19)17-2-1-14-7-17/h1-2,7H,3-6H2
InChIKeyPXDFFBDGCTVZNU-UHFFFAOYSA-N
XLogP0.56
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,2,2-trifluoro-1-[4-(imidazole-1-carbonyl)piperazin-1-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 2,2,2-trifluoro-1-[4-(imidazole-1-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[4-(imidazole-1-carbonyl)piperazin-1-yl]ethanone (CID 154652225) is 2,2,2-trifluoro-1-[4-(imidazole-1-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-(imidazole-1-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[4-(imidazole-1-carbonyl)piperazin-1-yl]ethanone is O=C(N1CCN(C(=O)C(F)(F)F)CC1)n1ccnc1.
What is the InChIKey of 2,2,2-trifluoro-1-[4-(imidazole-1-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is PXDFFBDGCTVZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O2/c11-10(12,13)8(18)15-3-5-16(6-4-15)9(19)17-2-1-14-7-17/h1-2,7H,3-6H2.
What are the key properties of 2,2,2-trifluoro-1-[4-(imidazole-1-carbonyl)piperazin-1-yl]ethanone?
2,2,2-trifluoro-1-[4-(imidazole-1-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 276.22 g/mol, XLogP of 0.56, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-(imidazole-1-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 154652225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).