5-(4-methoxyphenyl)-5-methylpiperazine-2,3-dione

C12H14N2O3 — CID 116856095

IUPAC5-(4-methoxyphenyl)-5-methylpiperazine-2,3-dione
SMILESCOc1ccc(C2(C)CNC(=O)C(=O)N2)cc1
InChIInChI=1S/C12H14N2O3/c1-12(7-13-10(15)11(16)14-12)8-3-5-9(17-2)6-4-8/h3-6H,7H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyOSOWJXRRBCZRIZ-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.16
Rot. Bonds2

About 5-(4-methoxyphenyl)-5-methylpiperazine-2,3-dione

5-(4-methoxyphenyl)-5-methylpiperazine-2,3-dione (PubChem CID 116856095) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-5-methylpiperazine-2,3-dione.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-5-methylpiperazine-2,3-dione
PubChem CID116856095
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name5-(4-methoxyphenyl)-5-methylpiperazine-2,3-dione
SMILESCOc1ccc(C2(C)CNC(=O)C(=O)N2)cc1
InChIInChI=1S/C12H14N2O3/c1-12(7-13-10(15)11(16)14-12)8-3-5-9(17-2)6-4-8/h3-6H,7H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyOSOWJXRRBCZRIZ-UHFFFAOYSA-N
XLogP0.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-(4-methoxyphenyl)-4-methylimidazolidin-2-one
CID 105458751
5-(4-fluorophenyl)-5-methylpiperazine-2,3-dione
CID 116856092
5-(4-ethoxy-3-methylphenyl)-5-methylpiperazine-2,3-dione
CID 116856127
4-(3-methoxyphenyl)-4-methylimidazolidin-2-one
CID 105458750
4-(4-methoxyphenyl)-2-methyl-2-(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carbonitrile
CID 118493270
5-methyl-5-(1H-pyrrol-2-yl)piperazine-2,3-dione
CID 116856134
(8R)-8-(4-methoxyphenyl)-1-methyl-2,6-diazabicyclo[2.2.2]octane-3,5-dione
CID 7332817
(1R,5S)-1-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 12719822
(1R,5R)-1-(4-methoxyphenyl)-5-methylbicyclo[3.1.0]hexan-3-one
CID 132839320
(4S)-5,5-bis(4-methoxyphenyl)-4-methyloxolan-2-one
CID 102142146
1-methoxy-4-[1,2,2-tris(4-methoxyphenyl)cyclopropyl]benzene
CID 12846256
1-methoxy-4-[1-(4-methoxyphenyl)-2-methylidenecyclopropyl]benzene
CID 13355231

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-5-methylpiperazine-2,3-dione?
The IUPAC name of 5-(4-methoxyphenyl)-5-methylpiperazine-2,3-dione (CID 116856095) is 5-(4-methoxyphenyl)-5-methylpiperazine-2,3-dione.
What is the SMILES notation for 5-(4-methoxyphenyl)-5-methylpiperazine-2,3-dione?
The canonical SMILES for 5-(4-methoxyphenyl)-5-methylpiperazine-2,3-dione is COc1ccc(C2(C)CNC(=O)C(=O)N2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-5-methylpiperazine-2,3-dione?
The InChIKey is OSOWJXRRBCZRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-12(7-13-10(15)11(16)14-12)8-3-5-9(17-2)6-4-8/h3-6H,7H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of 5-(4-methoxyphenyl)-5-methylpiperazine-2,3-dione?
5-(4-methoxyphenyl)-5-methylpiperazine-2,3-dione has a molecular weight of 234.25 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-5-methylpiperazine-2,3-dione is sourced from PubChem (CID 116856095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).