1-(2-acetylphenyl)piperazine-2,5-dione

C12H12N2O3 — CID 84695483

IUPAC1-(2-acetylphenyl)piperazine-2,5-dione
SMILESCC(=O)c1ccccc1N1CC(=O)NCC1=O
InChIInChI=1S/C12H12N2O3/c1-8(15)9-4-2-3-5-10(9)14-7-11(16)13-6-12(14)17/h2-5H,6-7H2,1H3,(H,13,16)
InChIKeyCUJMHGXEHJKUON-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.35
Rot. Bonds2

About 1-(2-acetylphenyl)piperazine-2,5-dione

1-(2-acetylphenyl)piperazine-2,5-dione (PubChem CID 84695483) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 1-(2-acetylphenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-acetylphenyl)piperazine-2,5-dione
PubChem CID84695483
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name1-(2-acetylphenyl)piperazine-2,5-dione
SMILESCC(=O)c1ccccc1N1CC(=O)NCC1=O
InChIInChI=1S/C12H12N2O3/c1-8(15)9-4-2-3-5-10(9)14-7-11(16)13-6-12(14)17/h2-5H,6-7H2,1H3,(H,13,16)
InChIKeyCUJMHGXEHJKUON-UHFFFAOYSA-N
XLogP0.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-naphthalen-1-ylpiperazine-2,5-dione
CID 64955278
1-(2-propan-2-ylphenyl)piperazine-2,5-dione
CID 64955597
1-[2-(trifluoromethyl)phenyl]piperazine-2,5-dione
CID 64955519
1-(3-aminophenyl)piperazine-2,5-dione
CID 82512416
1-(3-bromo-2-methylphenyl)piperazine-2,5-dione
CID 107640130
1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]piperazine-2,5-dione
CID 117459419
1-[2-(isocyanatomethyl)phenyl]piperazine-2,5-dione
CID 117364388
1-[2-(1-aminopropan-2-yl)phenyl]piperazine-2,5-dione
CID 117370677
3-(2,5-dioxopiperazin-1-yl)benzoic acid
CID 82513195
1-(2-bromo-5-methylphenyl)piperazine-2,5-dione
CID 82758291
1-[4-(2-oxopropyl)phenyl]piperazine-2,5-dione
CID 117367551
4-(2-acetyl-5-bromophenyl)-1,3-dihydroquinoxalin-2-one
CID 82953630

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetylphenyl)piperazine-2,5-dione?
The IUPAC name of 1-(2-acetylphenyl)piperazine-2,5-dione (CID 84695483) is 1-(2-acetylphenyl)piperazine-2,5-dione.
What is the SMILES notation for 1-(2-acetylphenyl)piperazine-2,5-dione?
The canonical SMILES for 1-(2-acetylphenyl)piperazine-2,5-dione is CC(=O)c1ccccc1N1CC(=O)NCC1=O.
What is the InChIKey of 1-(2-acetylphenyl)piperazine-2,5-dione?
The InChIKey is CUJMHGXEHJKUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-8(15)9-4-2-3-5-10(9)14-7-11(16)13-6-12(14)17/h2-5H,6-7H2,1H3,(H,13,16).
What are the key properties of 1-(2-acetylphenyl)piperazine-2,5-dione?
1-(2-acetylphenyl)piperazine-2,5-dione has a molecular weight of 232.24 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetylphenyl)piperazine-2,5-dione is sourced from PubChem (CID 84695483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).