3-piperidin-1-ylpyrazine-2-carboxylic acid

C10H13N3O2 — CID 15563991

IUPAC3-piperidin-1-ylpyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1N1CCCCC1
InChIInChI=1S/C10H13N3O2/c14-10(15)8-9(12-5-4-11-8)13-6-2-1-3-7-13/h4-5H,1-3,6-7H2,(H,14,15)
InChIKeyYVXJSFRBBSEDHV-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.17
Rot. Bonds2

About 3-piperidin-1-ylpyrazine-2-carboxylic acid

3-piperidin-1-ylpyrazine-2-carboxylic acid (PubChem CID 15563991) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-piperidin-1-ylpyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-piperidin-1-ylpyrazine-2-carboxylic acid
PubChem CID15563991
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name3-piperidin-1-ylpyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1N1CCCCC1
InChIInChI=1S/C10H13N3O2/c14-10(15)8-9(12-5-4-11-8)13-6-2-1-3-7-13/h4-5H,1-3,6-7H2,(H,14,15)
InChIKeyYVXJSFRBBSEDHV-UHFFFAOYSA-N
XLogP1.17
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylpyrazine-2-carboxylic acid?
The IUPAC name of 3-piperidin-1-ylpyrazine-2-carboxylic acid (CID 15563991) is 3-piperidin-1-ylpyrazine-2-carboxylic acid.
What is the SMILES notation for 3-piperidin-1-ylpyrazine-2-carboxylic acid?
The canonical SMILES for 3-piperidin-1-ylpyrazine-2-carboxylic acid is O=C(O)c1nccnc1N1CCCCC1.
What is the InChIKey of 3-piperidin-1-ylpyrazine-2-carboxylic acid?
The InChIKey is YVXJSFRBBSEDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c14-10(15)8-9(12-5-4-11-8)13-6-2-1-3-7-13/h4-5H,1-3,6-7H2,(H,14,15).
What are the key properties of 3-piperidin-1-ylpyrazine-2-carboxylic acid?
3-piperidin-1-ylpyrazine-2-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylpyrazine-2-carboxylic acid is sourced from PubChem (CID 15563991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).