1-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carbonyl]piperazin-1-yl]ethanone

C14H18F3N5O2 — CID 141192706

IUPAC1-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2nc(C(F)(F)F)n3c2CNCC3)CC1
InChIInChI=1S/C14H18F3N5O2/c1-9(23)20-4-6-21(7-5-20)12(24)11-10-8-18-2-3-22(10)13(19-11)14(15,16)17/h18H,2-8H2,1H3
InChIKeyYPEIXVNHFWPCLK-UHFFFAOYSA-N
MW345.33 g/mol
LogP0.31
Rot. Bonds1

About 1-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carbonyl]piperazin-1-yl]ethanone

1-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carbonyl]piperazin-1-yl]ethanone (PubChem CID 141192706) has the molecular formula C14H18F3N5O2 and a molecular weight of 345.33 g/mol. Its IUPAC name is 1-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carbonyl]piperazin-1-yl]ethanone
PubChem CID141192706
Molecular FormulaC14H18F3N5O2
Molecular Weight345.33 g/mol
Exact Mass345.14
IUPAC Name1-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2nc(C(F)(F)F)n3c2CNCC3)CC1
InChIInChI=1S/C14H18F3N5O2/c1-9(23)20-4-6-21(7-5-20)12(24)11-10-8-18-2-3-22(10)13(19-11)14(15,16)17/h18H,2-8H2,1H3
InChIKeyYPEIXVNHFWPCLK-UHFFFAOYSA-N
XLogP0.31
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carbonyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

7-BU-8-((2-(Dimethylamino)ethyl)amino)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
CID 663235
7-Butyl-3-methyl-8-(propylamino)-3,7-dihydro-1H-purine-2,6-dione
CID 663503
1-{[1,3-dimethyl-7-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperidine-4-carboxamide
CID 4860011
Stk169382
CID 663553
7-butyl-8-(sec-butylamino)-3-methyl-1H-purine-2,6(3H,7H)-dione
CID 664732
8-(butylamino)-1,3-dimethyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione
CID 3725884
1,3-dimethyl-8-piperidin-1-yl-7-{3-[(2E)-piperidin-2-ylideneamino]propyl}-3,7-dihydro-1H-purine-2,6-dione
CID 6603418
3,7-Dimethyl-8-piperidin-1-ylpurine-2,6-dione
CID 657695
7-(2-Butynyl)-1,3-dimethyl-8-(piperazin-1-yl)-3,7-dihydropurine-2,6-dione
CID 10286460
2-[1,3-Dimethyl-8-(4-methyl-piperazin-1-yl)-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl]-acetamide
CID 645735
3-Methyl-8-(4-methylpiperazin-1-yl)-7-propylpurine-2,6-dione
CID 776247
1,3-dimethyl-8-piperidin-1-yl-7-{2-[(2E)-pyrrolidin-2-ylideneamino]ethyl}-3,7-dihydro-1H-purine-2,6-dione
CID 2965257

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carbonyl]piperazin-1-yl]ethanone (CID 141192706) is 1-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2nc(C(F)(F)F)n3c2CNCC3)CC1.
What is the InChIKey of 1-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is YPEIXVNHFWPCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N5O2/c1-9(23)20-4-6-21(7-5-20)12(24)11-10-8-18-2-3-22(10)13(19-11)14(15,16)17/h18H,2-8H2,1H3.
What are the key properties of 1-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carbonyl]piperazin-1-yl]ethanone?
1-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 345.33 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 141192706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).