4-[2-(2,5-dimethylphenyl)-2-oxoethyl]piperazine-2,6-dione

C14H16N2O3 — CID 66085532

IUPAC4-[2-(2,5-dimethylphenyl)-2-oxoethyl]piperazine-2,6-dione
SMILESCc1ccc(C)c(C(=O)CN2CC(=O)NC(=O)C2)c1
InChIInChI=1S/C14H16N2O3/c1-9-3-4-10(2)11(5-9)12(17)6-16-7-13(18)15-14(19)8-16/h3-5H,6-8H2,1-2H3,(H,15,18,19)
InChIKeyLVZQUNDXBRHGQU-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.44
Rot. Bonds3

About 4-[2-(2,5-dimethylphenyl)-2-oxoethyl]piperazine-2,6-dione

4-[2-(2,5-dimethylphenyl)-2-oxoethyl]piperazine-2,6-dione (PubChem CID 66085532) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-[2-(2,5-dimethylphenyl)-2-oxoethyl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[2-(2,5-dimethylphenyl)-2-oxoethyl]piperazine-2,6-dione
PubChem CID66085532
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name4-[2-(2,5-dimethylphenyl)-2-oxoethyl]piperazine-2,6-dione
SMILESCc1ccc(C)c(C(=O)CN2CC(=O)NC(=O)C2)c1
InChIInChI=1S/C14H16N2O3/c1-9-3-4-10(2)11(5-9)12(17)6-16-7-13(18)15-14(19)8-16/h3-5H,6-8H2,1-2H3,(H,15,18,19)
InChIKeyLVZQUNDXBRHGQU-UHFFFAOYSA-N
XLogP0.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.44
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

2-(1,3-dihydroisoindol-2-yl)-1-(2,5-dimethylphenyl)ethanone
CID 62206452
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(2,5-dimethylphenyl)ethanone
CID 93026027
1-[2-(2,5-dimethylphenyl)-2-oxoethyl]-4-ethylpiperazine-2,5-dione
CID 79936135
2-chloro-1-(2,5-dimethylphenyl)ethanone
CID 2363693
2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2,5-dimethylphenyl)ethanone
CID 61445683
1-(2,5-dimethylphenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]ethanone
CID 110366584
1-[2-(2,5-dimethylphenyl)-2-oxoethyl]pyrimidin-2-one
CID 61226450
1-(2,5-dimethylphenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanone
CID 55215426
1-(2,5-dimethylphenyl)-2-(1,4-thiazepan-4-yl)ethanone
CID 62031456
1-(2,5-dimethylphenyl)-2-(4-methylazepan-1-yl)ethanone
CID 63622261
1-(2,5-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 106836556
1-(2,5-dimethylphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 112626432

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,5-dimethylphenyl)-2-oxoethyl]piperazine-2,6-dione?
The IUPAC name of 4-[2-(2,5-dimethylphenyl)-2-oxoethyl]piperazine-2,6-dione (CID 66085532) is 4-[2-(2,5-dimethylphenyl)-2-oxoethyl]piperazine-2,6-dione.
What is the SMILES notation for 4-[2-(2,5-dimethylphenyl)-2-oxoethyl]piperazine-2,6-dione?
The canonical SMILES for 4-[2-(2,5-dimethylphenyl)-2-oxoethyl]piperazine-2,6-dione is Cc1ccc(C)c(C(=O)CN2CC(=O)NC(=O)C2)c1.
What is the InChIKey of 4-[2-(2,5-dimethylphenyl)-2-oxoethyl]piperazine-2,6-dione?
The InChIKey is LVZQUNDXBRHGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9-3-4-10(2)11(5-9)12(17)6-16-7-13(18)15-14(19)8-16/h3-5H,6-8H2,1-2H3,(H,15,18,19).
What are the key properties of 4-[2-(2,5-dimethylphenyl)-2-oxoethyl]piperazine-2,6-dione?
4-[2-(2,5-dimethylphenyl)-2-oxoethyl]piperazine-2,6-dione has a molecular weight of 260.29 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,5-dimethylphenyl)-2-oxoethyl]piperazine-2,6-dione is sourced from PubChem (CID 66085532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).