2-(3-methylphenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone

C17H20N4O — CID 13298536

IUPAC2-(3-methylphenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
SMILESCc1cccc(CC(=O)N2CCN(c3cnccn3)CC2)c1
InChIInChI=1S/C17H20N4O/c1-14-3-2-4-15(11-14)12-17(22)21-9-7-20(8-10-21)16-13-18-5-6-19-16/h2-6,11,13H,7-10,12H2,1H3
InChIKeyJSDHYJGXKFZTHU-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.68
Rot. Bonds3

About 2-(3-methylphenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone

2-(3-methylphenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone (PubChem CID 13298536) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-methylphenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
PubChem CID13298536
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name2-(3-methylphenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
SMILESCc1cccc(CC(=O)N2CCN(c3cnccn3)CC2)c1
InChIInChI=1S/C17H20N4O/c1-14-3-2-4-15(11-14)12-17(22)21-9-7-20(8-10-21)16-13-18-5-6-19-16/h2-6,11,13H,7-10,12H2,1H3
InChIKeyJSDHYJGXKFZTHU-UHFFFAOYSA-N
XLogP1.68
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-acetyl-2-pyridinyl)-1,4-diazepan-1-yl]-2-(3-methylphenyl)ethanone
CID 138381357
2-(4-methoxyphenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 42023151
2-(3-methylphenyl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone
CID 110818393
2-(3-methylphenyl)-1-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 122344113
2-(3-methylphenyl)-1-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 122337223
1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 60715497
2-(3-bromo-2-fluorophenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 146022604
2-(3-methylphenyl)-1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]ethanone
CID 122355628
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 110665106
2,2-dimethyl-1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110817960
2-(3-methylphenyl)-1-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]ethanone
CID 100645265
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 110818726

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(3-methylphenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone (CID 13298536) is 2-(3-methylphenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(3-methylphenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(3-methylphenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone is Cc1cccc(CC(=O)N2CCN(c3cnccn3)CC2)c1.
What is the InChIKey of 2-(3-methylphenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is JSDHYJGXKFZTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-14-3-2-4-15(11-14)12-17(22)21-9-7-20(8-10-21)16-13-18-5-6-19-16/h2-6,11,13H,7-10,12H2,1H3.
What are the key properties of 2-(3-methylphenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone?
2-(3-methylphenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 296.37 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 13298536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).