1-(pyrazine-2-carbonyl)piperidine-3-carboxylic acid

C11H13N3O3 — CID 16776959

IUPAC1-(pyrazine-2-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)c2cnccn2)C1
InChIInChI=1S/C11H13N3O3/c15-10(9-6-12-3-4-13-9)14-5-1-2-8(7-14)11(16)17/h3-4,6,8H,1-2,5,7H2,(H,16,17)
InChIKeyLNXRZYHWTAUMHY-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.41
Rot. Bonds2

About 1-(pyrazine-2-carbonyl)piperidine-3-carboxylic acid

1-(pyrazine-2-carbonyl)piperidine-3-carboxylic acid (PubChem CID 16776959) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 1-(pyrazine-2-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(pyrazine-2-carbonyl)piperidine-3-carboxylic acid
PubChem CID16776959
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name1-(pyrazine-2-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)c2cnccn2)C1
InChIInChI=1S/C11H13N3O3/c15-10(9-6-12-3-4-13-9)14-5-1-2-8(7-14)11(16)17/h3-4,6,8H,1-2,5,7H2,(H,16,17)
InChIKeyLNXRZYHWTAUMHY-UHFFFAOYSA-N
XLogP0.41
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylpiperidin-1-yl)-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone
CID 816652
(3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylic acid
CID 30082310
[(3R)-3-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 94475780
(3S)-N-(2-methylpropyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
CID 816617
[4-(2-chlorophenyl)piperazin-1-yl]-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone
CID 1031812
(4-ethylpiperazin-4-ium-1-yl)-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone
CID 6946276
(3-ethylpiperidin-1-yl)-pyrazin-2-ylmethanone
CID 86981201
1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid
CID 63023722
(3R)-1-(4-chloropyridine-2-carbonyl)piperidine-3-carboxylic acid
CID 81118172
(3S)-N-pentyl-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
CID 7296485
1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 81445360
(3R)-1-(3-chloropyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 81118358

Frequently Asked Questions

What is the IUPAC name of 1-(pyrazine-2-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(pyrazine-2-carbonyl)piperidine-3-carboxylic acid (CID 16776959) is 1-(pyrazine-2-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(pyrazine-2-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(pyrazine-2-carbonyl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)c2cnccn2)C1.
What is the InChIKey of 1-(pyrazine-2-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is LNXRZYHWTAUMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c15-10(9-6-12-3-4-13-9)14-5-1-2-8(7-14)11(16)17/h3-4,6,8H,1-2,5,7H2,(H,16,17).
What are the key properties of 1-(pyrazine-2-carbonyl)piperidine-3-carboxylic acid?
1-(pyrazine-2-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 235.24 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrazine-2-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 16776959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).