4-(2-methoxy-5-methylphenyl)piperazine-2,6-dione

C12H14N2O3 — CID 55236738

IUPAC4-(2-methoxy-5-methylphenyl)piperazine-2,6-dione
SMILESCOc1ccc(C)cc1N1CC(=O)NC(=O)C1
InChIInChI=1S/C12H14N2O3/c1-8-3-4-10(17-2)9(5-8)14-6-11(15)13-12(16)7-14/h3-5H,6-7H2,1-2H3,(H,13,15,16)
InChIKeyIITYMYGJQODVAS-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.47
Rot. Bonds2

About 4-(2-methoxy-5-methylphenyl)piperazine-2,6-dione

4-(2-methoxy-5-methylphenyl)piperazine-2,6-dione (PubChem CID 55236738) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 4-(2-methoxy-5-methylphenyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(2-methoxy-5-methylphenyl)piperazine-2,6-dione
PubChem CID55236738
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name4-(2-methoxy-5-methylphenyl)piperazine-2,6-dione
SMILESCOc1ccc(C)cc1N1CC(=O)NC(=O)C1
InChIInChI=1S/C12H14N2O3/c1-8-3-4-10(17-2)9(5-8)14-6-11(15)13-12(16)7-14/h3-5H,6-7H2,1-2H3,(H,13,15,16)
InChIKeyIITYMYGJQODVAS-UHFFFAOYSA-N
XLogP0.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methoxy-5-methylphenyl)sulfonylpiperazine-2,6-dione
CID 66085376
1-(2-methoxy-5-methylphenyl)-4,4-dimethylpiperidin-3-one
CID 117025206
1-(2-methoxy-5-methylphenyl)-4-methylpiperazine
CID 20811370
1-(2-methoxy-5-methylphenyl)-3,3-dimethylpiperazine
CID 64926759
1-(2-methoxy-5-methylphenyl)-4-methylpiperidine-4-carboxylic acid
CID 117011695
4-[3-(2-methoxy-5-methylphenyl)prop-2-enoyl]piperazine-2,6-dione
CID 77111424
4-(2,5-dimethoxyphenyl)-6,6-dimethylpiperazin-2-one
CID 117023988
1-(2,5-dimethoxyphenyl)imidazolidine-2,4-dione
CID 4770213
1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrole
CID 39243590
4-(aminomethyl)-1-(2-methoxy-5-methylphenyl)piperidin-4-ol
CID 82297536
1-(2-methoxy-5-methylphenyl)-1,5-diazocan-2-one
CID 117014442
2-(3,5-dioxopiperazin-1-yl)-4-methoxybenzonitrile
CID 81306288

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-5-methylphenyl)piperazine-2,6-dione?
The IUPAC name of 4-(2-methoxy-5-methylphenyl)piperazine-2,6-dione (CID 55236738) is 4-(2-methoxy-5-methylphenyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(2-methoxy-5-methylphenyl)piperazine-2,6-dione?
The canonical SMILES for 4-(2-methoxy-5-methylphenyl)piperazine-2,6-dione is COc1ccc(C)cc1N1CC(=O)NC(=O)C1.
What is the InChIKey of 4-(2-methoxy-5-methylphenyl)piperazine-2,6-dione?
The InChIKey is IITYMYGJQODVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-8-3-4-10(17-2)9(5-8)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-methoxy-5-methylphenyl)piperazine-2,6-dione?
4-(2-methoxy-5-methylphenyl)piperazine-2,6-dione has a molecular weight of 234.25 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-5-methylphenyl)piperazine-2,6-dione is sourced from PubChem (CID 55236738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).