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

C13H16N2O4 — CID 116856099

IUPAC5-(3,4-dimethoxyphenyl)-5-methylpiperazine-2,3-dione
SMILESCOc1ccc(C2(C)CNC(=O)C(=O)N2)cc1OC
InChIInChI=1S/C13H16N2O4/c1-13(7-14-11(16)12(17)15-13)8-4-5-9(18-2)10(6-8)19-3/h4-6H,7H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyKVKQRTCVYCRWNX-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.17
Rot. Bonds3

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

5-(3,4-dimethoxyphenyl)-5-methylpiperazine-2,3-dione (PubChem CID 116856099) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-5-methylpiperazine-2,3-dione.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-5-methylpiperazine-2,3-dione
PubChem CID116856099
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name5-(3,4-dimethoxyphenyl)-5-methylpiperazine-2,3-dione
SMILESCOc1ccc(C2(C)CNC(=O)C(=O)N2)cc1OC
InChIInChI=1S/C13H16N2O4/c1-13(7-14-11(16)12(17)15-13)8-4-5-9(18-2)10(6-8)19-3/h4-6H,7H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyKVKQRTCVYCRWNX-UHFFFAOYSA-N
XLogP0.17
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-methoxyphenyl)-5-methylpiperazine-2,3-dione
CID 116856095
5-(4-ethoxy-3-methylphenyl)-5-methylpiperazine-2,3-dione
CID 116856127
5-(4-fluorophenyl)-5-methylpiperazine-2,3-dione
CID 116856092
5-(4-bromophenyl)-5-methylpiperazine-2,3-dione
CID 116856094
(5S)-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 2384607
2-(3,4-dimethoxyphenyl)-2-methylcyclopropan-1-amine
CID 62387494
(8R)-8-(3,4-dimethoxyphenyl)-1-methyl-2,6-diazabicyclo[2.2.2]octane-3,5-dione
CID 52905656
5-(3,4-dimethoxyphenyl)-5-ethylimidazolidine-2,4-dione
CID 71683812
4-(3-methoxyphenyl)-4-methylimidazolidin-2-one
CID 105458750
5-(2,5-dimethylphenyl)-5-methylpiperazine-2,3-dione
CID 116856090
3-(3,4-dimethoxyphenyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid
CID 105359949
5-(3,4-dimethoxyphenyl)-3-ethyl-5-methylimidazolidine-2,4-dione
CID 42915163

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-5-methylpiperazine-2,3-dione?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-5-methylpiperazine-2,3-dione (CID 116856099) is 5-(3,4-dimethoxyphenyl)-5-methylpiperazine-2,3-dione.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-5-methylpiperazine-2,3-dione?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-5-methylpiperazine-2,3-dione is COc1ccc(C2(C)CNC(=O)C(=O)N2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-5-methylpiperazine-2,3-dione?
The InChIKey is KVKQRTCVYCRWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-13(7-14-11(16)12(17)15-13)8-4-5-9(18-2)10(6-8)19-3/h4-6H,7H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of 5-(3,4-dimethoxyphenyl)-5-methylpiperazine-2,3-dione?
5-(3,4-dimethoxyphenyl)-5-methylpiperazine-2,3-dione has a molecular weight of 264.28 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-5-methylpiperazine-2,3-dione is sourced from PubChem (CID 116856099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).