5-(2-methyl-3-oxopiperazine-1-carbonyl)pyrazine-2-carboxylic acid

C11H12N4O4 — CID 120685364

IUPAC5-(2-methyl-3-oxopiperazine-1-carbonyl)pyrazine-2-carboxylic acid
SMILESCC1C(=O)NCCN1C(=O)c1cnc(C(=O)O)cn1
InChIInChI=1S/C11H12N4O4/c1-6-9(16)12-2-3-15(6)10(17)7-4-14-8(5-13-7)11(18)19/h4-6H,2-3H2,1H3,(H,12,16)(H,18,19)
InChIKeyOEEFWBWZFQKEFU-UHFFFAOYSA-N
MW264.24 g/mol
LogP-0.86
Rot. Bonds2

About 5-(2-methyl-3-oxopiperazine-1-carbonyl)pyrazine-2-carboxylic acid

5-(2-methyl-3-oxopiperazine-1-carbonyl)pyrazine-2-carboxylic acid (PubChem CID 120685364) has the molecular formula C11H12N4O4 and a molecular weight of 264.24 g/mol. Its IUPAC name is 5-(2-methyl-3-oxopiperazine-1-carbonyl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-methyl-3-oxopiperazine-1-carbonyl)pyrazine-2-carboxylic acid
PubChem CID120685364
Molecular FormulaC11H12N4O4
Molecular Weight264.24 g/mol
Exact Mass264.09
IUPAC Name5-(2-methyl-3-oxopiperazine-1-carbonyl)pyrazine-2-carboxylic acid
SMILESCC1C(=O)NCCN1C(=O)c1cnc(C(=O)O)cn1
InChIInChI=1S/C11H12N4O4/c1-6-9(16)12-2-3-15(6)10(17)7-4-14-8(5-13-7)11(18)19/h4-6H,2-3H2,1H3,(H,12,16)(H,18,19)
InChIKeyOEEFWBWZFQKEFU-UHFFFAOYSA-N
XLogP-0.86
TPSA112.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-6-(2-methyl-3-oxopiperazine-1-carbonyl)pyridine-3-carboxylic acid
CID 63608011
5-[2-(cyclohexylmethyl)-3-oxopiperazine-1-carbonyl]pyrazine-2-carboxylic acid
CID 122120035
3-methyl-4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-2-one
CID 63090398
4-[5-(4-hydroxybut-1-ynyl)pyridine-2-carbonyl]-3-methylpiperazin-2-one
CID 63602305
4-(3-hydroxypyridine-2-carbonyl)-3-methylpiperazin-2-one
CID 63607605
4-(3-fluoro-2-hydrazinylpyridine-4-carbonyl)-3-methylpiperazin-2-one
CID 105388346
6-(2-methyl-3-oxopiperazine-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 63373884
4-(4-amino-6-methylpyridine-3-carbonyl)-3-methylpiperazin-2-one
CID 81241204
4-acetyl-3-methylpiperazin-2-one
CID 13190467
(3R)-3-methyl-4-(4-phenylbenzoyl)piperazin-2-one
CID 25283888
4-[1-(azetidin-3-yl)triazole-4-carbonyl]-3-methylpiperazin-2-one
CID 79316226
4-(5-amino-1-methylpyrazole-4-carbonyl)-3-methylpiperazin-2-one
CID 115330862

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-3-oxopiperazine-1-carbonyl)pyrazine-2-carboxylic acid?
The IUPAC name of 5-(2-methyl-3-oxopiperazine-1-carbonyl)pyrazine-2-carboxylic acid (CID 120685364) is 5-(2-methyl-3-oxopiperazine-1-carbonyl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(2-methyl-3-oxopiperazine-1-carbonyl)pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(2-methyl-3-oxopiperazine-1-carbonyl)pyrazine-2-carboxylic acid is CC1C(=O)NCCN1C(=O)c1cnc(C(=O)O)cn1.
What is the InChIKey of 5-(2-methyl-3-oxopiperazine-1-carbonyl)pyrazine-2-carboxylic acid?
The InChIKey is OEEFWBWZFQKEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4/c1-6-9(16)12-2-3-15(6)10(17)7-4-14-8(5-13-7)11(18)19/h4-6H,2-3H2,1H3,(H,12,16)(H,18,19).
What are the key properties of 5-(2-methyl-3-oxopiperazine-1-carbonyl)pyrazine-2-carboxylic acid?
5-(2-methyl-3-oxopiperazine-1-carbonyl)pyrazine-2-carboxylic acid has a molecular weight of 264.24 g/mol, XLogP of -0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-3-oxopiperazine-1-carbonyl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 120685364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).