1-(2-methoxyphenyl)-5-methylpiperazine-2,3-dione

C12H14N2O3 — CID 122715416

IUPAC1-(2-methoxyphenyl)-5-methylpiperazine-2,3-dione
SMILESCOc1ccccc1N1CC(C)NC(=O)C1=O
InChIInChI=1S/C12H14N2O3/c1-8-7-14(12(16)11(15)13-8)9-5-3-4-6-10(9)17-2/h3-6,8H,7H2,1-2H3,(H,13,15)
InChIKeyTXJVAHLILMHXBY-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.55
Rot. Bonds2

About 1-(2-methoxyphenyl)-5-methylpiperazine-2,3-dione

1-(2-methoxyphenyl)-5-methylpiperazine-2,3-dione (PubChem CID 122715416) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-5-methylpiperazine-2,3-dione.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-5-methylpiperazine-2,3-dione
PubChem CID122715416
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name1-(2-methoxyphenyl)-5-methylpiperazine-2,3-dione
SMILESCOc1ccccc1N1CC(C)NC(=O)C1=O
InChIInChI=1S/C12H14N2O3/c1-8-7-14(12(16)11(15)13-8)9-5-3-4-6-10(9)17-2/h3-6,8H,7H2,1-2H3,(H,13,15)
InChIKeyTXJVAHLILMHXBY-UHFFFAOYSA-N
XLogP0.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S)-1-(2-methoxyphenyl)-5-methyl-2-sulfanylidene-1,3-diazinan-4-one
CID 850225
4-(2-methoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine
CID 117007415
1-(2-methoxyphenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670200
1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine-2,3-dione
CID 146074768
1-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 62301551
1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941796
3-(2-methoxyphenyl)-6-oxa-3-azabicyclo[3.1.1]heptan-2-one
CID 84786579
(3aR,6aS)-5-(2-methoxyphenyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 71262063
1-(2-methoxyphenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 119453996
1-(2-methoxyphenyl)-4-prop-2-ynylpiperazine-2,3-dione
CID 146074791
(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 94075915
(3S,5R)-1-(2-methoxyphenyl)-3,5-dimethylpiperidine
CID 159772789

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-5-methylpiperazine-2,3-dione?
The IUPAC name of 1-(2-methoxyphenyl)-5-methylpiperazine-2,3-dione (CID 122715416) is 1-(2-methoxyphenyl)-5-methylpiperazine-2,3-dione.
What is the SMILES notation for 1-(2-methoxyphenyl)-5-methylpiperazine-2,3-dione?
The canonical SMILES for 1-(2-methoxyphenyl)-5-methylpiperazine-2,3-dione is COc1ccccc1N1CC(C)NC(=O)C1=O.
What is the InChIKey of 1-(2-methoxyphenyl)-5-methylpiperazine-2,3-dione?
The InChIKey is TXJVAHLILMHXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-8-7-14(12(16)11(15)13-8)9-5-3-4-6-10(9)17-2/h3-6,8H,7H2,1-2H3,(H,13,15).
What are the key properties of 1-(2-methoxyphenyl)-5-methylpiperazine-2,3-dione?
1-(2-methoxyphenyl)-5-methylpiperazine-2,3-dione has a molecular weight of 234.25 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-5-methylpiperazine-2,3-dione is sourced from PubChem (CID 122715416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).