1-(4-methylphenyl)-4-(2-pyrazin-2-ylacetyl)piperazin-2-one

C17H18N4O2 — CID 70743066

IUPAC1-(4-methylphenyl)-4-(2-pyrazin-2-ylacetyl)piperazin-2-one
SMILESCc1ccc(N2CCN(C(=O)Cc3cnccn3)CC2=O)cc1
InChIInChI=1S/C17H18N4O2/c1-13-2-4-15(5-3-13)21-9-8-20(12-17(21)23)16(22)10-14-11-18-6-7-19-14/h2-7,11H,8-10,12H2,1H3
InChIKeyXXRYBBRIGPPDBZ-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.20
Rot. Bonds3

About 1-(4-methylphenyl)-4-(2-pyrazin-2-ylacetyl)piperazin-2-one

1-(4-methylphenyl)-4-(2-pyrazin-2-ylacetyl)piperazin-2-one (PubChem CID 70743066) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-(4-methylphenyl)-4-(2-pyrazin-2-ylacetyl)piperazin-2-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-4-(2-pyrazin-2-ylacetyl)piperazin-2-one
PubChem CID70743066
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name1-(4-methylphenyl)-4-(2-pyrazin-2-ylacetyl)piperazin-2-one
SMILESCc1ccc(N2CCN(C(=O)Cc3cnccn3)CC2=O)cc1
InChIInChI=1S/C17H18N4O2/c1-13-2-4-15(5-3-13)21-9-8-20(12-17(21)23)16(22)10-14-11-18-6-7-19-14/h2-7,11H,8-10,12H2,1H3
InChIKeyXXRYBBRIGPPDBZ-UHFFFAOYSA-N
XLogP1.20
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3R)-3-(2-methylimidazol-1-yl)butanoyl]-1-(4-methylphenyl)piperazin-2-one
CID 96574232
1-(4-methylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one
CID 70741232
1-pyridin-3-yl-4-(2-pyridin-3-ylacetyl)piperazin-2-one
CID 126851696
4-(3-ethoxypropanoyl)-1-(4-methylphenyl)piperazin-2-one
CID 70765820
4-[2-(4-fluorophenoxy)acetyl]-1-(4-methylphenyl)piperazin-2-one
CID 70780139
(5R)-5-methyl-1-(4-methylphenyl)-4-(pyrazine-2-carbonyl)piperazin-2-one
CID 96582107
4-[2-[(3R)-3-hydroxypiperidin-1-yl]acetyl]-1-(4-methylphenyl)piperazin-2-one
CID 96580689
4-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-1-(4-methylphenyl)piperazin-2-one
CID 70748846
4-(3-hydroxy-2-methylbenzoyl)-1-(4-methylphenyl)piperazin-2-one
CID 70717876
4-(2-methoxypyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one
CID 70741390
1-(4-methylphenyl)-4-[(4S)-4-(4-methylpiperazin-1-yl)pentanoyl]piperazin-2-one
CID 96579737
1-(4-methylphenyl)-4-[(4R)-4-morpholin-4-ylpentanoyl]piperazin-2-one
CID 96573400

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-4-(2-pyrazin-2-ylacetyl)piperazin-2-one?
The IUPAC name of 1-(4-methylphenyl)-4-(2-pyrazin-2-ylacetyl)piperazin-2-one (CID 70743066) is 1-(4-methylphenyl)-4-(2-pyrazin-2-ylacetyl)piperazin-2-one.
What is the SMILES notation for 1-(4-methylphenyl)-4-(2-pyrazin-2-ylacetyl)piperazin-2-one?
The canonical SMILES for 1-(4-methylphenyl)-4-(2-pyrazin-2-ylacetyl)piperazin-2-one is Cc1ccc(N2CCN(C(=O)Cc3cnccn3)CC2=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)-4-(2-pyrazin-2-ylacetyl)piperazin-2-one?
The InChIKey is XXRYBBRIGPPDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-13-2-4-15(5-3-13)21-9-8-20(12-17(21)23)16(22)10-14-11-18-6-7-19-14/h2-7,11H,8-10,12H2,1H3.
What are the key properties of 1-(4-methylphenyl)-4-(2-pyrazin-2-ylacetyl)piperazin-2-one?
1-(4-methylphenyl)-4-(2-pyrazin-2-ylacetyl)piperazin-2-one has a molecular weight of 310.36 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-4-(2-pyrazin-2-ylacetyl)piperazin-2-one is sourced from PubChem (CID 70743066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).