2,2,2-trifluoro-1-[1-(1H-imidazole-5-carbonyl)piperazin-2-yl]ethanone

C10H11F3N4O2 — CID 162516564

IUPAC2,2,2-trifluoro-1-[1-(1H-imidazole-5-carbonyl)piperazin-2-yl]ethanone
SMILESO=C(c1cnc[nH]1)N1CCNCC1C(=O)C(F)(F)F
InChIInChI=1S/C10H11F3N4O2/c11-10(12,13)8(18)7-4-14-1-2-17(7)9(19)6-3-15-5-16-6/h3,5,7,14H,1-2,4H2,(H,15,16)
InChIKeyTXTCLJXBFSGMMS-UHFFFAOYSA-N
MW276.22 g/mol
LogP-0.04
Rot. Bonds2

About 2,2,2-trifluoro-1-[1-(1H-imidazole-5-carbonyl)piperazin-2-yl]ethanone

2,2,2-trifluoro-1-[1-(1H-imidazole-5-carbonyl)piperazin-2-yl]ethanone (PubChem CID 162516564) has the molecular formula C10H11F3N4O2 and a molecular weight of 276.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[1-(1H-imidazole-5-carbonyl)piperazin-2-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[1-(1H-imidazole-5-carbonyl)piperazin-2-yl]ethanone
PubChem CID162516564
Molecular FormulaC10H11F3N4O2
Molecular Weight276.22 g/mol
Exact Mass276.08
IUPAC Name2,2,2-trifluoro-1-[1-(1H-imidazole-5-carbonyl)piperazin-2-yl]ethanone
SMILESO=C(c1cnc[nH]1)N1CCNCC1C(=O)C(F)(F)F
InChIInChI=1S/C10H11F3N4O2/c11-10(12,13)8(18)7-4-14-1-2-17(7)9(19)6-3-15-5-16-6/h3,5,7,14H,1-2,4H2,(H,15,16)
InChIKeyTXTCLJXBFSGMMS-UHFFFAOYSA-N
XLogP-0.04
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[1-(1H-imidazole-5-carbonyl)piperazin-2-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[1-(1H-imidazole-5-carbonyl)piperazin-2-yl]ethanone (CID 162516564) is 2,2,2-trifluoro-1-[1-(1H-imidazole-5-carbonyl)piperazin-2-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[1-(1H-imidazole-5-carbonyl)piperazin-2-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[1-(1H-imidazole-5-carbonyl)piperazin-2-yl]ethanone is O=C(c1cnc[nH]1)N1CCNCC1C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[1-(1H-imidazole-5-carbonyl)piperazin-2-yl]ethanone?
The InChIKey is TXTCLJXBFSGMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O2/c11-10(12,13)8(18)7-4-14-1-2-17(7)9(19)6-3-15-5-16-6/h3,5,7,14H,1-2,4H2,(H,15,16).
What are the key properties of 2,2,2-trifluoro-1-[1-(1H-imidazole-5-carbonyl)piperazin-2-yl]ethanone?
2,2,2-trifluoro-1-[1-(1H-imidazole-5-carbonyl)piperazin-2-yl]ethanone has a molecular weight of 276.22 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[1-(1H-imidazole-5-carbonyl)piperazin-2-yl]ethanone is sourced from PubChem (CID 162516564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).