6-(2-ethyl-3-oxopiperazine-1-carbonyl)pyridine-2-carboxylic acid

C13H15N3O4 — CID 63603373

IUPAC6-(2-ethyl-3-oxopiperazine-1-carbonyl)pyridine-2-carboxylic acid
SMILESCCC1C(=O)NCCN1C(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C13H15N3O4/c1-2-10-11(17)14-6-7-16(10)12(18)8-4-3-5-9(15-8)13(19)20/h3-5,10H,2,6-7H2,1H3,(H,14,17)(H,19,20)
InChIKeyYROBEGUWBNYEPM-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.13
Rot. Bonds3

About 6-(2-ethyl-3-oxopiperazine-1-carbonyl)pyridine-2-carboxylic acid

6-(2-ethyl-3-oxopiperazine-1-carbonyl)pyridine-2-carboxylic acid (PubChem CID 63603373) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 6-(2-ethyl-3-oxopiperazine-1-carbonyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2-ethyl-3-oxopiperazine-1-carbonyl)pyridine-2-carboxylic acid
PubChem CID63603373
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name6-(2-ethyl-3-oxopiperazine-1-carbonyl)pyridine-2-carboxylic acid
SMILESCCC1C(=O)NCCN1C(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C13H15N3O4/c1-2-10-11(17)14-6-7-16(10)12(18)8-4-3-5-9(15-8)13(19)20/h3-5,10H,2,6-7H2,1H3,(H,14,17)(H,19,20)
InChIKeyYROBEGUWBNYEPM-UHFFFAOYSA-N
XLogP0.13
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one
CID 55218091
(3R)-4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one
CID 98523415
4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one;hydrochloride
CID 119999095
3-ethyl-4-(6-hydrazinylpyridine-2-carbonyl)piperazin-2-one
CID 63603750
3-ethyl-4-(2-methylbenzoyl)piperazin-2-one
CID 63601884
2-ethyl-N-(6-methyl-2-pyridinyl)-3-oxopiperazine-1-carboxamide
CID 75484734
4-(2-amino-6-methylbenzoyl)-3-ethylpiperazin-2-one
CID 63601793
3-(2-ethyl-3-oxopiperazine-1-carbonyl)benzonitrile
CID 63600980
3-ethyl-4-[1-(3-phenylpropyl)triazole-4-carbonyl]piperazin-2-one
CID 45241729
3-ethyl-4-[2-(methylamino)benzoyl]piperazin-2-one
CID 63604913
4-[2-(2,6-dichlorophenyl)acetyl]-3-ethylpiperazin-2-one
CID 63602232
4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-3-ethylpiperazin-2-one;hydrochloride
CID 120630860

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethyl-3-oxopiperazine-1-carbonyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(2-ethyl-3-oxopiperazine-1-carbonyl)pyridine-2-carboxylic acid (CID 63603373) is 6-(2-ethyl-3-oxopiperazine-1-carbonyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(2-ethyl-3-oxopiperazine-1-carbonyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(2-ethyl-3-oxopiperazine-1-carbonyl)pyridine-2-carboxylic acid is CCC1C(=O)NCCN1C(=O)c1cccc(C(=O)O)n1.
What is the InChIKey of 6-(2-ethyl-3-oxopiperazine-1-carbonyl)pyridine-2-carboxylic acid?
The InChIKey is YROBEGUWBNYEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-2-10-11(17)14-6-7-16(10)12(18)8-4-3-5-9(15-8)13(19)20/h3-5,10H,2,6-7H2,1H3,(H,14,17)(H,19,20).
What are the key properties of 6-(2-ethyl-3-oxopiperazine-1-carbonyl)pyridine-2-carboxylic acid?
6-(2-ethyl-3-oxopiperazine-1-carbonyl)pyridine-2-carboxylic acid has a molecular weight of 277.28 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethyl-3-oxopiperazine-1-carbonyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 63603373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).