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

C14H16N2O4 — CID 107433064

IUPAC1-(2,5-dimethylbenzoyl)-5-oxopiperazine-2-carboxylic acid
SMILESCc1ccc(C)c(C(=O)N2CC(=O)NCC2C(=O)O)c1
InChIInChI=1S/C14H16N2O4/c1-8-3-4-9(2)10(5-8)13(18)16-7-12(17)15-6-11(16)14(19)20/h3-5,11H,6-7H2,1-2H3,(H,15,17)(H,19,20)
InChIKeyYXCNQNRGZTUKIQ-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.33
Rot. Bonds2

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

1-(2,5-dimethylbenzoyl)-5-oxopiperazine-2-carboxylic acid (PubChem CID 107433064) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 1-(2,5-dimethylbenzoyl)-5-oxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,5-dimethylbenzoyl)-5-oxopiperazine-2-carboxylic acid
PubChem CID107433064
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name1-(2,5-dimethylbenzoyl)-5-oxopiperazine-2-carboxylic acid
SMILESCc1ccc(C)c(C(=O)N2CC(=O)NCC2C(=O)O)c1
InChIInChI=1S/C14H16N2O4/c1-8-3-4-9(2)10(5-8)13(18)16-7-12(17)15-6-11(16)14(19)20/h3-5,11H,6-7H2,1-2H3,(H,15,17)(H,19,20)
InChIKeyYXCNQNRGZTUKIQ-UHFFFAOYSA-N
XLogP0.33
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxy-4-methylbenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107432869
1-(2,4-dihydroxybenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107433324
1-(4-bromo-3-methylbenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107433045
1-(2,5-difluorobenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107432918
1-(2,4-dibromobenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107938417
1-(2-hydroxy-5-iodobenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107731478
1-benzoyl-5-oxopiperazine-2-carboxylic acid
CID 107432787
1-(2,5-dimethylbenzoyl)piperidine-2-carboxylic acid
CID 18072995
1-(5-methyl-1,2-oxazole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107432931
4-(2,5-dimethylbenzoyl)piperazin-2-one
CID 31096061
1-(3,6-dichloropyridazine-4-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107433030
1-(2-hydroxy-3-methoxybenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107432919

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylbenzoyl)-5-oxopiperazine-2-carboxylic acid?
The IUPAC name of 1-(2,5-dimethylbenzoyl)-5-oxopiperazine-2-carboxylic acid (CID 107433064) is 1-(2,5-dimethylbenzoyl)-5-oxopiperazine-2-carboxylic acid.
What is the SMILES notation for 1-(2,5-dimethylbenzoyl)-5-oxopiperazine-2-carboxylic acid?
The canonical SMILES for 1-(2,5-dimethylbenzoyl)-5-oxopiperazine-2-carboxylic acid is Cc1ccc(C)c(C(=O)N2CC(=O)NCC2C(=O)O)c1.
What is the InChIKey of 1-(2,5-dimethylbenzoyl)-5-oxopiperazine-2-carboxylic acid?
The InChIKey is YXCNQNRGZTUKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-8-3-4-9(2)10(5-8)13(18)16-7-12(17)15-6-11(16)14(19)20/h3-5,11H,6-7H2,1-2H3,(H,15,17)(H,19,20).
What are the key properties of 1-(2,5-dimethylbenzoyl)-5-oxopiperazine-2-carboxylic acid?
1-(2,5-dimethylbenzoyl)-5-oxopiperazine-2-carboxylic acid has a molecular weight of 276.29 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylbenzoyl)-5-oxopiperazine-2-carboxylic acid is sourced from PubChem (CID 107433064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).