1-(4-methylphenyl)piperazine-2,6-dione

C11H12N2O2 — CID 82112672

IUPAC1-(4-methylphenyl)piperazine-2,6-dione
SMILESCc1ccc(N2C(=O)CNCC2=O)cc1
InChIInChI=1S/C11H12N2O2/c1-8-2-4-9(5-3-8)13-10(14)6-12-7-11(13)15/h2-5,12H,6-7H2,1H3
InChIKeyJSMCBRGTQKHOCE-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.46
Rot. Bonds1

About 1-(4-methylphenyl)piperazine-2,6-dione

1-(4-methylphenyl)piperazine-2,6-dione (PubChem CID 82112672) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-(4-methylphenyl)piperazine-2,6-dione.

Molecular Properties

Compound Name1-(4-methylphenyl)piperazine-2,6-dione
PubChem CID82112672
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name1-(4-methylphenyl)piperazine-2,6-dione
SMILESCc1ccc(N2C(=O)CNCC2=O)cc1
InChIInChI=1S/C11H12N2O2/c1-8-2-4-9(5-3-8)13-10(14)6-12-7-11(13)15/h2-5,12H,6-7H2,1H3
InChIKeyJSMCBRGTQKHOCE-UHFFFAOYSA-N
XLogP0.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.46
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

1-[4-(diethylamino)phenyl]piperazine-2,6-dione
CID 82121695
ethane;1-(4-methylphenyl)piperazin-2-one
CID 142224264
(1R,5R)-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 7100138
(1S,5S)-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 7100139
(3aR,7aR)-5,6-dimethyl-2-(4-methylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 6951465
4-(4-methylphenyl)-1,2,4-triazole-3,5-dione
CID 2760671
(3S)-3-methyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 124672804
5,6-dimethyl-2-(4-methylphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 20677736
1-(4-methylphenyl)-3-phenyl-1,3-diazinane-2,4,6-trione
CID 20607089
2-(4-methylphenyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione
CID 117002769
1-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]pyrrolidine-2,5-dione
CID 917152
3,3-dimethyl-4-(4-methylphenyl)-1,4-diazepan-5-one
CID 117023477

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)piperazine-2,6-dione?
The IUPAC name of 1-(4-methylphenyl)piperazine-2,6-dione (CID 82112672) is 1-(4-methylphenyl)piperazine-2,6-dione.
What is the SMILES notation for 1-(4-methylphenyl)piperazine-2,6-dione?
The canonical SMILES for 1-(4-methylphenyl)piperazine-2,6-dione is Cc1ccc(N2C(=O)CNCC2=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)piperazine-2,6-dione?
The InChIKey is JSMCBRGTQKHOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-8-2-4-9(5-3-8)13-10(14)6-12-7-11(13)15/h2-5,12H,6-7H2,1H3.
What are the key properties of 1-(4-methylphenyl)piperazine-2,6-dione?
1-(4-methylphenyl)piperazine-2,6-dione has a molecular weight of 204.23 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)piperazine-2,6-dione is sourced from PubChem (CID 82112672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).