4-(2,3-dimethylphenyl)piperazine-2,6-dione

C12H14N2O2 — CID 63787849

IUPAC4-(2,3-dimethylphenyl)piperazine-2,6-dione
SMILESCc1cccc(N2CC(=O)NC(=O)C2)c1C
InChIInChI=1S/C12H14N2O2/c1-8-4-3-5-10(9(8)2)14-6-11(15)13-12(16)7-14/h3-5H,6-7H2,1-2H3,(H,13,15,16)
InChIKeyRJDGJNICOSEUBZ-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.77
Rot. Bonds1

About 4-(2,3-dimethylphenyl)piperazine-2,6-dione

4-(2,3-dimethylphenyl)piperazine-2,6-dione (PubChem CID 63787849) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-(2,3-dimethylphenyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(2,3-dimethylphenyl)piperazine-2,6-dione
PubChem CID63787849
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name4-(2,3-dimethylphenyl)piperazine-2,6-dione
SMILESCc1cccc(N2CC(=O)NC(=O)C2)c1C
InChIInChI=1S/C12H14N2O2/c1-8-4-3-5-10(9(8)2)14-6-11(15)13-12(16)7-14/h3-5H,6-7H2,1-2H3,(H,13,15,16)
InChIKeyRJDGJNICOSEUBZ-UHFFFAOYSA-N
XLogP0.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2,3-dimethylphenyl)-2,6-dioxopiperazin-1-yl]acetic acid
CID 82346513
4-(2-amino-3-fluorophenyl)piperazine-2,6-dione
CID 66082916
3-(2,3-dimethylphenyl)imidazolidine-2,4-dione
CID 103935480
2-(3,5-dioxopiperazin-1-yl)-6-fluorobenzonitrile
CID 79512638
1-(2,3-dimethylphenyl)-1,4-diazepane-2,5-dione
CID 64958545
1-(2,3-dimethylphenyl)-5-methyl-1,3-diazinane-2,4-dione
CID 79776984
ethane;4-phenylpiperazine-2,6-dione
CID 142623304
4-[2-(2-amino-2-methylpropyl)phenyl]piperazine-2,6-dione
CID 117407706
1-(2,3-dimethylphenyl)-2,2-dimethylpyrrolidin-3-one
CID 117016911
4-(2,3-dimethylphenyl)-3,3-dimethyl-1,4-diazepan-5-one
CID 117023483
1-(2,3-dimethylphenyl)pyrrolidin-2-one
CID 69199779
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-phenylcyclobut-3-ene-1,2-dione
CID 22550381

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylphenyl)piperazine-2,6-dione?
The IUPAC name of 4-(2,3-dimethylphenyl)piperazine-2,6-dione (CID 63787849) is 4-(2,3-dimethylphenyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(2,3-dimethylphenyl)piperazine-2,6-dione?
The canonical SMILES for 4-(2,3-dimethylphenyl)piperazine-2,6-dione is Cc1cccc(N2CC(=O)NC(=O)C2)c1C.
What is the InChIKey of 4-(2,3-dimethylphenyl)piperazine-2,6-dione?
The InChIKey is RJDGJNICOSEUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8-4-3-5-10(9(8)2)14-6-11(15)13-12(16)7-14/h3-5H,6-7H2,1-2H3,(H,13,15,16).
What are the key properties of 4-(2,3-dimethylphenyl)piperazine-2,6-dione?
4-(2,3-dimethylphenyl)piperazine-2,6-dione has a molecular weight of 218.26 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylphenyl)piperazine-2,6-dione is sourced from PubChem (CID 63787849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).