1-benzoyl-5-oxopiperazine-2-carboxylic acid

C12H12N2O4 — CID 107432787

IUPAC1-benzoyl-5-oxopiperazine-2-carboxylic acid
SMILESO=C1CN(C(=O)c2ccccc2)C(C(=O)O)CN1
InChIInChI=1S/C12H12N2O4/c15-10-7-14(9(6-13-10)12(17)18)11(16)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,15)(H,17,18)
InChIKeyCHHVADFQSJIASA-UHFFFAOYSA-N
MW248.24 g/mol
LogP-0.29
Rot. Bonds2

About 1-benzoyl-5-oxopiperazine-2-carboxylic acid

1-benzoyl-5-oxopiperazine-2-carboxylic acid (PubChem CID 107432787) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 1-benzoyl-5-oxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-benzoyl-5-oxopiperazine-2-carboxylic acid
PubChem CID107432787
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name1-benzoyl-5-oxopiperazine-2-carboxylic acid
SMILESO=C1CN(C(=O)c2ccccc2)C(C(=O)O)CN1
InChIInChI=1S/C12H12N2O4/c15-10-7-14(9(6-13-10)12(17)18)11(16)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,15)(H,17,18)
InChIKeyCHHVADFQSJIASA-UHFFFAOYSA-N
XLogP-0.29
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-1-(pyridazine-4-carbonyl)piperazine-2-carboxylic acid
CID 107433192
1-(4-ethoxybenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107432832
1-(furan-2-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107433203
1-(3-hydroxy-4-methylbenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107432869
1-(4-bromo-3-methylbenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107433045
1-(1H-indole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107432864
1-(5-hydroxypyridine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107433430
1-(1H-indazole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107433226
1-(5-fluoropyridine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107432811
1-(2,4-dihydroxybenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107433324
1-(5-nitrothiophene-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107432774
1-(2,5-difluorobenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107432918

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-5-oxopiperazine-2-carboxylic acid?
The IUPAC name of 1-benzoyl-5-oxopiperazine-2-carboxylic acid (CID 107432787) is 1-benzoyl-5-oxopiperazine-2-carboxylic acid.
What is the SMILES notation for 1-benzoyl-5-oxopiperazine-2-carboxylic acid?
The canonical SMILES for 1-benzoyl-5-oxopiperazine-2-carboxylic acid is O=C1CN(C(=O)c2ccccc2)C(C(=O)O)CN1.
What is the InChIKey of 1-benzoyl-5-oxopiperazine-2-carboxylic acid?
The InChIKey is CHHVADFQSJIASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c15-10-7-14(9(6-13-10)12(17)18)11(16)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,15)(H,17,18).
What are the key properties of 1-benzoyl-5-oxopiperazine-2-carboxylic acid?
1-benzoyl-5-oxopiperazine-2-carboxylic acid has a molecular weight of 248.24 g/mol, XLogP of -0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-5-oxopiperazine-2-carboxylic acid is sourced from PubChem (CID 107432787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).