1-(2,5-difluorobenzoyl)-5-oxopiperazine-2-carboxylic acid

C12H10F2N2O4 — CID 107432918

IUPAC1-(2,5-difluorobenzoyl)-5-oxopiperazine-2-carboxylic acid
SMILESO=C1CN(C(=O)c2cc(F)ccc2F)C(C(=O)O)CN1
InChIInChI=1S/C12H10F2N2O4/c13-6-1-2-8(14)7(3-6)11(18)16-5-10(17)15-4-9(16)12(19)20/h1-3,9H,4-5H2,(H,15,17)(H,19,20)
InChIKeyIXBULKSLPIGBBD-UHFFFAOYSA-N
MW284.22 g/mol
LogP-0.01
Rot. Bonds2

About 1-(2,5-difluorobenzoyl)-5-oxopiperazine-2-carboxylic acid

1-(2,5-difluorobenzoyl)-5-oxopiperazine-2-carboxylic acid (PubChem CID 107432918) has the molecular formula C12H10F2N2O4 and a molecular weight of 284.22 g/mol. Its IUPAC name is 1-(2,5-difluorobenzoyl)-5-oxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,5-difluorobenzoyl)-5-oxopiperazine-2-carboxylic acid
PubChem CID107432918
Molecular FormulaC12H10F2N2O4
Molecular Weight284.22 g/mol
Exact Mass284.06
IUPAC Name1-(2,5-difluorobenzoyl)-5-oxopiperazine-2-carboxylic acid
SMILESO=C1CN(C(=O)c2cc(F)ccc2F)C(C(=O)O)CN1
InChIInChI=1S/C12H10F2N2O4/c13-6-1-2-8(14)7(3-6)11(18)16-5-10(17)15-4-9(16)12(19)20/h1-3,9H,4-5H2,(H,15,17)(H,19,20)
InChIKeyIXBULKSLPIGBBD-UHFFFAOYSA-N
XLogP-0.01
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.22
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dihydroxybenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107433324
1-(2,4-dibromobenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107938417
1-(2-hydroxy-5-iodobenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107731478
1-(2,5-dimethylbenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107433064
1-benzoyl-5-oxopiperazine-2-carboxylic acid
CID 107432787
1-(5-fluoropyridine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107432811
4-(2,5-difluorobenzoyl)-3-methylpiperazine-2,6-dione
CID 66063081
1-[2-(4-fluorophenyl)sulfanylacetyl]-5-oxopiperazine-2-carboxylic acid
CID 107432996
1-(3,6-dichloropyridazine-4-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107433030
1-[2-(4-fluorophenoxy)acetyl]-5-oxopiperazine-2-carboxylic acid
CID 107433138
1-(2-hydroxy-3-methoxybenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107432919
1-(2-methylsulfanylpyridine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107433153

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorobenzoyl)-5-oxopiperazine-2-carboxylic acid?
The IUPAC name of 1-(2,5-difluorobenzoyl)-5-oxopiperazine-2-carboxylic acid (CID 107432918) is 1-(2,5-difluorobenzoyl)-5-oxopiperazine-2-carboxylic acid.
What is the SMILES notation for 1-(2,5-difluorobenzoyl)-5-oxopiperazine-2-carboxylic acid?
The canonical SMILES for 1-(2,5-difluorobenzoyl)-5-oxopiperazine-2-carboxylic acid is O=C1CN(C(=O)c2cc(F)ccc2F)C(C(=O)O)CN1.
What is the InChIKey of 1-(2,5-difluorobenzoyl)-5-oxopiperazine-2-carboxylic acid?
The InChIKey is IXBULKSLPIGBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O4/c13-6-1-2-8(14)7(3-6)11(18)16-5-10(17)15-4-9(16)12(19)20/h1-3,9H,4-5H2,(H,15,17)(H,19,20).
What are the key properties of 1-(2,5-difluorobenzoyl)-5-oxopiperazine-2-carboxylic acid?
1-(2,5-difluorobenzoyl)-5-oxopiperazine-2-carboxylic acid has a molecular weight of 284.22 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorobenzoyl)-5-oxopiperazine-2-carboxylic acid is sourced from PubChem (CID 107432918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).