4-ethyl-1-(4-methyl-3-oxopyrazin-2-yl)piperidine-2-carboxylic acid

C13H19N3O3 — CID 114427626

IUPAC4-ethyl-1-(4-methyl-3-oxopyrazin-2-yl)piperidine-2-carboxylic acid
SMILESCCC1CCN(c2nccn(C)c2=O)C(C(=O)O)C1
InChIInChI=1S/C13H19N3O3/c1-3-9-4-6-16(10(8-9)13(18)19)11-12(17)15(2)7-5-14-11/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,18,19)
InChIKeyWHYQQZVLEJRLKZ-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.86
Rot. Bonds3

About 4-ethyl-1-(4-methyl-3-oxopyrazin-2-yl)piperidine-2-carboxylic acid

4-ethyl-1-(4-methyl-3-oxopyrazin-2-yl)piperidine-2-carboxylic acid (PubChem CID 114427626) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-ethyl-1-(4-methyl-3-oxopyrazin-2-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(4-methyl-3-oxopyrazin-2-yl)piperidine-2-carboxylic acid
PubChem CID114427626
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4-ethyl-1-(4-methyl-3-oxopyrazin-2-yl)piperidine-2-carboxylic acid
SMILESCCC1CCN(c2nccn(C)c2=O)C(C(=O)O)C1
InChIInChI=1S/C13H19N3O3/c1-3-9-4-6-16(10(8-9)13(18)19)11-12(17)15(2)7-5-14-11/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,18,19)
InChIKeyWHYQQZVLEJRLKZ-UHFFFAOYSA-N
XLogP0.86
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-4-ethylpiperidine-2-carboxylic acid
CID 114427547
1-(3-carbamoyl-2-pyridinyl)-4-ethylpiperidine-2-carboxylic acid
CID 114427498
4-ethyl-1-(2-methylpyrimidin-4-yl)piperidine-2-carboxylic acid
CID 114427599
1-(5,6-dimethylpyrazin-2-yl)-4-ethylpiperidine-2-carboxylic acid
CID 114474690
1-(6-ethoxypyrimidin-4-yl)-4-ethylpiperidine-2-carboxylic acid
CID 114427497
4-ethyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid
CID 114427235
4-ethyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidine-2-carboxylic acid
CID 114427477
3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 138002181
3-[4-(2-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 62940456
3-[3-(chloromethyl)pyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 63390246
3-[(3R)-3-hydroxypyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 103696647
4-ethyl-1-(4-propan-2-yloxypyrimidin-2-yl)piperidine-2-carboxylic acid
CID 114427636

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(4-methyl-3-oxopyrazin-2-yl)piperidine-2-carboxylic acid?
The IUPAC name of 4-ethyl-1-(4-methyl-3-oxopyrazin-2-yl)piperidine-2-carboxylic acid (CID 114427626) is 4-ethyl-1-(4-methyl-3-oxopyrazin-2-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(4-methyl-3-oxopyrazin-2-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(4-methyl-3-oxopyrazin-2-yl)piperidine-2-carboxylic acid is CCC1CCN(c2nccn(C)c2=O)C(C(=O)O)C1.
What is the InChIKey of 4-ethyl-1-(4-methyl-3-oxopyrazin-2-yl)piperidine-2-carboxylic acid?
The InChIKey is WHYQQZVLEJRLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-9-4-6-16(10(8-9)13(18)19)11-12(17)15(2)7-5-14-11/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,18,19).
What are the key properties of 4-ethyl-1-(4-methyl-3-oxopyrazin-2-yl)piperidine-2-carboxylic acid?
4-ethyl-1-(4-methyl-3-oxopyrazin-2-yl)piperidine-2-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(4-methyl-3-oxopyrazin-2-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 114427626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).