4-(4-acetylphenyl)-3-oxopiperazine-1-carboxylic acid

C13H14N2O4 — CID 91178638

IUPAC4-(4-acetylphenyl)-3-oxopiperazine-1-carboxylic acid
SMILESCC(=O)c1ccc(N2CCN(C(=O)O)CC2=O)cc1
InChIInChI=1S/C13H14N2O4/c1-9(16)10-2-4-11(5-3-10)15-7-6-14(13(18)19)8-12(15)17/h2-5H,6-8H2,1H3,(H,18,19)
InChIKeyZBUGRMUZFLFKIE-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.22
Rot. Bonds2

About 4-(4-acetylphenyl)-3-oxopiperazine-1-carboxylic acid

4-(4-acetylphenyl)-3-oxopiperazine-1-carboxylic acid (PubChem CID 91178638) has the molecular formula C13H14N2O4 and a molecular weight of 262.27 g/mol. Its IUPAC name is 4-(4-acetylphenyl)-3-oxopiperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-acetylphenyl)-3-oxopiperazine-1-carboxylic acid
PubChem CID91178638
Molecular FormulaC13H14N2O4
Molecular Weight262.27 g/mol
Exact Mass262.10
IUPAC Name4-(4-acetylphenyl)-3-oxopiperazine-1-carboxylic acid
SMILESCC(=O)c1ccc(N2CCN(C(=O)O)CC2=O)cc1
InChIInChI=1S/C13H14N2O4/c1-9(16)10-2-4-11(5-3-10)15-7-6-14(13(18)19)8-12(15)17/h2-5H,6-8H2,1H3,(H,18,19)
InChIKeyZBUGRMUZFLFKIE-UHFFFAOYSA-N
XLogP1.22
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetylphenyl)-4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one
CID 57442579
1-(4-acetylphenyl)-4-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one
CID 143404316
1-(4-methylphenyl)-4-(4-methylsulfanylbenzoyl)piperazin-2-one
CID 70756809
1-(4-acetylphenyl)pyrrolidine-2,3-dione
CID 117013828
4-(2-ethylbutanoyl)-1-phenylpiperazin-2-one
CID 70710183
4-(5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one
CID 70711644
N-(4-acetylphenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 9242933
N-[4-methyl-1-oxo-1-(3-oxo-4-phenylpiperazin-1-yl)pentan-2-yl]acetamide
CID 78087226
(3S)-4-(3-methylbut-2-enyl)-3-[2-oxo-2-(3-oxo-4-phenylpiperazin-1-yl)ethyl]piperazin-2-one
CID 95709133
4-acetyl(11C)benzoic acid
CID 11205952
4-[2-(azepan-1-yl)propanoyl]-1-(4-methylphenyl)piperazin-2-one
CID 70776563
1-(4-methylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one
CID 70741232

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenyl)-3-oxopiperazine-1-carboxylic acid?
The IUPAC name of 4-(4-acetylphenyl)-3-oxopiperazine-1-carboxylic acid (CID 91178638) is 4-(4-acetylphenyl)-3-oxopiperazine-1-carboxylic acid.
What is the SMILES notation for 4-(4-acetylphenyl)-3-oxopiperazine-1-carboxylic acid?
The canonical SMILES for 4-(4-acetylphenyl)-3-oxopiperazine-1-carboxylic acid is CC(=O)c1ccc(N2CCN(C(=O)O)CC2=O)cc1.
What is the InChIKey of 4-(4-acetylphenyl)-3-oxopiperazine-1-carboxylic acid?
The InChIKey is ZBUGRMUZFLFKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-9(16)10-2-4-11(5-3-10)15-7-6-14(13(18)19)8-12(15)17/h2-5H,6-8H2,1H3,(H,18,19).
What are the key properties of 4-(4-acetylphenyl)-3-oxopiperazine-1-carboxylic acid?
4-(4-acetylphenyl)-3-oxopiperazine-1-carboxylic acid has a molecular weight of 262.27 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenyl)-3-oxopiperazine-1-carboxylic acid is sourced from PubChem (CID 91178638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).