1-[2-(2,4-dimethylphenyl)-2-oxoethyl]-4-methylpiperazine-2,3-dione

C15H18N2O3 — CID 62928779

IUPAC1-[2-(2,4-dimethylphenyl)-2-oxoethyl]-4-methylpiperazine-2,3-dione
SMILESCc1ccc(C(=O)CN2CCN(C)C(=O)C2=O)c(C)c1
InChIInChI=1S/C15H18N2O3/c1-10-4-5-12(11(2)8-10)13(18)9-17-7-6-16(3)14(19)15(17)20/h4-5,8H,6-7,9H2,1-3H3
InChIKeyMJKBGOQKDUJYCG-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.79
Rot. Bonds3

About 1-[2-(2,4-dimethylphenyl)-2-oxoethyl]-4-methylpiperazine-2,3-dione

1-[2-(2,4-dimethylphenyl)-2-oxoethyl]-4-methylpiperazine-2,3-dione (PubChem CID 62928779) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-[2-(2,4-dimethylphenyl)-2-oxoethyl]-4-methylpiperazine-2,3-dione.

Molecular Properties

Compound Name1-[2-(2,4-dimethylphenyl)-2-oxoethyl]-4-methylpiperazine-2,3-dione
PubChem CID62928779
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-[2-(2,4-dimethylphenyl)-2-oxoethyl]-4-methylpiperazine-2,3-dione
SMILESCc1ccc(C(=O)CN2CCN(C)C(=O)C2=O)c(C)c1
InChIInChI=1S/C15H18N2O3/c1-10-4-5-12(11(2)8-10)13(18)9-17-7-6-16(3)14(19)15(17)20/h4-5,8H,6-7,9H2,1-3H3
InChIKeyMJKBGOQKDUJYCG-UHFFFAOYSA-N
XLogP0.79
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(azocan-1-yl)-1-(2,4-dimethylphenyl)ethanone
CID 43219875
1-(2,4-dimethylphenyl)-2-(3-hydroxyazetidin-1-yl)ethanone
CID 121200226
1-[3-(2,4-dimethylphenyl)-3-oxopropyl]piperidin-4-one
CID 82484142
1-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-4-methylpiperazine-2,3-dione
CID 62928596
2-(4-cyclohexylpiperazin-1-yl)-1-(2,4-dimethylphenyl)ethanone
CID 90643116
1-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-methylpiperidin-4-one
CID 114501233
1-(2,5-dimethylphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]piperazine-2,3-dione
CID 167998129
1-(2,4-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 106836618
1-(2,4-dimethylphenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 43219443
1-[4-[2-(2,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]butan-1-one
CID 110366640
1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064821
2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,4-dimethylphenyl)ethanone
CID 103535673

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethylphenyl)-2-oxoethyl]-4-methylpiperazine-2,3-dione?
The IUPAC name of 1-[2-(2,4-dimethylphenyl)-2-oxoethyl]-4-methylpiperazine-2,3-dione (CID 62928779) is 1-[2-(2,4-dimethylphenyl)-2-oxoethyl]-4-methylpiperazine-2,3-dione.
What is the SMILES notation for 1-[2-(2,4-dimethylphenyl)-2-oxoethyl]-4-methylpiperazine-2,3-dione?
The canonical SMILES for 1-[2-(2,4-dimethylphenyl)-2-oxoethyl]-4-methylpiperazine-2,3-dione is Cc1ccc(C(=O)CN2CCN(C)C(=O)C2=O)c(C)c1.
What is the InChIKey of 1-[2-(2,4-dimethylphenyl)-2-oxoethyl]-4-methylpiperazine-2,3-dione?
The InChIKey is MJKBGOQKDUJYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10-4-5-12(11(2)8-10)13(18)9-17-7-6-16(3)14(19)15(17)20/h4-5,8H,6-7,9H2,1-3H3.
What are the key properties of 1-[2-(2,4-dimethylphenyl)-2-oxoethyl]-4-methylpiperazine-2,3-dione?
1-[2-(2,4-dimethylphenyl)-2-oxoethyl]-4-methylpiperazine-2,3-dione has a molecular weight of 274.32 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethylphenyl)-2-oxoethyl]-4-methylpiperazine-2,3-dione is sourced from PubChem (CID 62928779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).