1-[2-(2,5-dimethylphenyl)-2-oxoethyl]-4-ethylpiperazine-2,5-dione

C16H20N2O3 — CID 79936135

IUPAC1-[2-(2,5-dimethylphenyl)-2-oxoethyl]-4-ethylpiperazine-2,5-dione
SMILESCCN1CC(=O)N(CC(=O)c2cc(C)ccc2C)CC1=O
InChIInChI=1S/C16H20N2O3/c1-4-17-9-16(21)18(10-15(17)20)8-14(19)13-7-11(2)5-6-12(13)3/h5-7H,4,8-10H2,1-3H3
InChIKeyNISJGZFPXWJOAD-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.18
Rot. Bonds4

About 1-[2-(2,5-dimethylphenyl)-2-oxoethyl]-4-ethylpiperazine-2,5-dione

1-[2-(2,5-dimethylphenyl)-2-oxoethyl]-4-ethylpiperazine-2,5-dione (PubChem CID 79936135) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylphenyl)-2-oxoethyl]-4-ethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[2-(2,5-dimethylphenyl)-2-oxoethyl]-4-ethylpiperazine-2,5-dione
PubChem CID79936135
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-[2-(2,5-dimethylphenyl)-2-oxoethyl]-4-ethylpiperazine-2,5-dione
SMILESCCN1CC(=O)N(CC(=O)c2cc(C)ccc2C)CC1=O
InChIInChI=1S/C16H20N2O3/c1-4-17-9-16(21)18(10-15(17)20)8-14(19)13-7-11(2)5-6-12(13)3/h5-7H,4,8-10H2,1-3H3
InChIKeyNISJGZFPXWJOAD-UHFFFAOYSA-N
XLogP1.18
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2,5-dimethylphenyl)-2-oxoethyl]-4-ethylpiperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2,5-dichlorophenyl)-2-oxoethyl]-4-ethylpiperazine-2,5-dione
CID 79936015
4-[2-(2,5-dimethylphenyl)-2-oxoethyl]piperazine-2,6-dione
CID 66085532
2-(1,3-dihydroisoindol-2-yl)-1-(2,5-dimethylphenyl)ethanone
CID 62206452
2-chloro-1-(2,5-dimethylphenyl)ethanone
CID 2363693
1-[2-(2,5-dimethylphenyl)-2-oxoethyl]pyrimidin-2-one
CID 61226450
1-(2,5-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 106836556
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(2,5-dimethylphenyl)ethanone
CID 93026027
1-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5-ethylpyrimidine-2,4-dione
CID 66330312
2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2,5-dimethylphenyl)ethanone
CID 61445683
1-(2,5-dimethylphenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanone
CID 55215426
1-(2,5-dimethylphenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]ethanone
CID 110366584
1-(2,5-dimethylphenyl)-2-(1,4-thiazepan-4-yl)ethanone
CID 62031456

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylphenyl)-2-oxoethyl]-4-ethylpiperazine-2,5-dione?
The IUPAC name of 1-[2-(2,5-dimethylphenyl)-2-oxoethyl]-4-ethylpiperazine-2,5-dione (CID 79936135) is 1-[2-(2,5-dimethylphenyl)-2-oxoethyl]-4-ethylpiperazine-2,5-dione.
What is the SMILES notation for 1-[2-(2,5-dimethylphenyl)-2-oxoethyl]-4-ethylpiperazine-2,5-dione?
The canonical SMILES for 1-[2-(2,5-dimethylphenyl)-2-oxoethyl]-4-ethylpiperazine-2,5-dione is CCN1CC(=O)N(CC(=O)c2cc(C)ccc2C)CC1=O.
What is the InChIKey of 1-[2-(2,5-dimethylphenyl)-2-oxoethyl]-4-ethylpiperazine-2,5-dione?
The InChIKey is NISJGZFPXWJOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-4-17-9-16(21)18(10-15(17)20)8-14(19)13-7-11(2)5-6-12(13)3/h5-7H,4,8-10H2,1-3H3.
What are the key properties of 1-[2-(2,5-dimethylphenyl)-2-oxoethyl]-4-ethylpiperazine-2,5-dione?
1-[2-(2,5-dimethylphenyl)-2-oxoethyl]-4-ethylpiperazine-2,5-dione has a molecular weight of 288.35 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylphenyl)-2-oxoethyl]-4-ethylpiperazine-2,5-dione is sourced from PubChem (CID 79936135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).