5-(4-ethenylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid

C13H15N3O3 — CID 120690280

IUPAC5-(4-ethenylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid
SMILESC=CC1CCN(C(=O)c2cnc(C(=O)O)cn2)CC1
InChIInChI=1S/C13H15N3O3/c1-2-9-3-5-16(6-4-9)12(17)10-7-15-11(8-14-10)13(18)19/h2,7-9H,1,3-6H2,(H,18,19)
InChIKeyVDMOXTPCRJXMIV-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.21
Rot. Bonds3

About 5-(4-ethenylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid

5-(4-ethenylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid (PubChem CID 120690280) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 5-(4-ethenylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-ethenylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid
PubChem CID120690280
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name5-(4-ethenylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid
SMILESC=CC1CCN(C(=O)c2cnc(C(=O)O)cn2)CC1
InChIInChI=1S/C13H15N3O3/c1-2-9-3-5-16(6-4-9)12(17)10-7-15-11(8-14-10)13(18)19/h2,7-9H,1,3-6H2,(H,18,19)
InChIKeyVDMOXTPCRJXMIV-UHFFFAOYSA-N
XLogP1.21
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-(pyrrolidine-1-carbonyl)pyrazine-2-carboxylic acid
CID 117213082
5-(1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl)pyrazine-2-carboxylic acid
CID 120689040
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-ethenylpiperidin-1-yl)methanone
CID 120632496
5-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 138001709
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-ethenylpiperidin-1-yl)methanone
CID 119783247
5-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 138001743
5-[4-(3-cyclopentylpropanoyl)piperazine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120684948
5-(3-methoxyazetidine-1-carbonyl)pyrazine-2-carboxylic acid
CID 120689034
(5-methylpyrazin-2-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 86284339
5-(3-methyl-4-phenylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid
CID 120685797
(5-chloropyrazin-2-yl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 107257837
5-[4-[(5-methylthiophene-2-carbonyl)amino]piperidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120685360

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethenylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid?
The IUPAC name of 5-(4-ethenylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid (CID 120690280) is 5-(4-ethenylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(4-ethenylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(4-ethenylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid is C=CC1CCN(C(=O)c2cnc(C(=O)O)cn2)CC1.
What is the InChIKey of 5-(4-ethenylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid?
The InChIKey is VDMOXTPCRJXMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-2-9-3-5-16(6-4-9)12(17)10-7-15-11(8-14-10)13(18)19/h2,7-9H,1,3-6H2,(H,18,19).
What are the key properties of 5-(4-ethenylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid?
5-(4-ethenylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethenylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 120690280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).