5-(2,5-dimethylphenyl)-5-methylpiperazine-2,3-dione

C13H16N2O2 — CID 116856090

IUPAC5-(2,5-dimethylphenyl)-5-methylpiperazine-2,3-dione
SMILESCc1ccc(C)c(C2(C)CNC(=O)C(=O)N2)c1
InChIInChI=1S/C13H16N2O2/c1-8-4-5-9(2)10(6-8)13(3)7-14-11(16)12(17)15-13/h4-6H,7H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyXCGSMPYTYIECON-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.76
Rot. Bonds1

About 5-(2,5-dimethylphenyl)-5-methylpiperazine-2,3-dione

5-(2,5-dimethylphenyl)-5-methylpiperazine-2,3-dione (PubChem CID 116856090) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 5-(2,5-dimethylphenyl)-5-methylpiperazine-2,3-dione.

Molecular Properties

Compound Name5-(2,5-dimethylphenyl)-5-methylpiperazine-2,3-dione
PubChem CID116856090
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name5-(2,5-dimethylphenyl)-5-methylpiperazine-2,3-dione
SMILESCc1ccc(C)c(C2(C)CNC(=O)C(=O)N2)c1
InChIInChI=1S/C13H16N2O2/c1-8-4-5-9(2)10(6-8)13(3)7-14-11(16)12(17)15-13/h4-6H,7H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyXCGSMPYTYIECON-UHFFFAOYSA-N
XLogP0.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(4-fluorophenyl)-5-methylpiperazine-2,3-dione
CID 116856092
4-(2,5-dimethylphenyl)-4,5-dimethylpyrrolidin-2-one
CID 66107823
5-(4-bromophenyl)-5-methylpiperazine-2,3-dione
CID 116856094
5-(4-ethoxy-3-methylphenyl)-5-methylpiperazine-2,3-dione
CID 116856127
3a,4,4,6-tetramethyl-1,3-dihydroimidazo[1,2-a]indol-2-one
CID 3402453
5-(4-methoxyphenyl)-5-methylpiperazine-2,3-dione
CID 116856095
4-methyl-4-(4-methylphenyl)imidazolidin-2-one
CID 105444277
2-(3-bromo-1-methylcyclopentyl)-1,4-dimethylbenzene
CID 116540790
3-hydroxy-3,5-dimethyl-2H-isoindol-1-one
CID 155187215
2-[2-(chloromethyl)-1-methylcyclopropyl]-1,4-dimethylbenzene
CID 81358320
4,4,6-trimethyl-1,3-dihydronaphthalen-2-one
CID 10997784
4,4,6-trimethyl-2,3-dihydro-1H-isoquinoline
CID 22978924

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylphenyl)-5-methylpiperazine-2,3-dione?
The IUPAC name of 5-(2,5-dimethylphenyl)-5-methylpiperazine-2,3-dione (CID 116856090) is 5-(2,5-dimethylphenyl)-5-methylpiperazine-2,3-dione.
What is the SMILES notation for 5-(2,5-dimethylphenyl)-5-methylpiperazine-2,3-dione?
The canonical SMILES for 5-(2,5-dimethylphenyl)-5-methylpiperazine-2,3-dione is Cc1ccc(C)c(C2(C)CNC(=O)C(=O)N2)c1.
What is the InChIKey of 5-(2,5-dimethylphenyl)-5-methylpiperazine-2,3-dione?
The InChIKey is XCGSMPYTYIECON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-8-4-5-9(2)10(6-8)13(3)7-14-11(16)12(17)15-13/h4-6H,7H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of 5-(2,5-dimethylphenyl)-5-methylpiperazine-2,3-dione?
5-(2,5-dimethylphenyl)-5-methylpiperazine-2,3-dione has a molecular weight of 232.28 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylphenyl)-5-methylpiperazine-2,3-dione is sourced from PubChem (CID 116856090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).