6-(3-propoxypiperidin-1-yl)pyrazine-2-carboxylic acid

C13H19N3O3 — CID 66450862

IUPAC6-(3-propoxypiperidin-1-yl)pyrazine-2-carboxylic acid
SMILESCCCOC1CCCN(c2cncc(C(=O)O)n2)C1
InChIInChI=1S/C13H19N3O3/c1-2-6-19-10-4-3-5-16(9-10)12-8-14-7-11(15-12)13(17)18/h7-8,10H,2-6,9H2,1H3,(H,17,18)
InChIKeyFRCBOVRLOHGPHC-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.57
Rot. Bonds5

About 6-(3-propoxypiperidin-1-yl)pyrazine-2-carboxylic acid

6-(3-propoxypiperidin-1-yl)pyrazine-2-carboxylic acid (PubChem CID 66450862) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 6-(3-propoxypiperidin-1-yl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-(3-propoxypiperidin-1-yl)pyrazine-2-carboxylic acid
PubChem CID66450862
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name6-(3-propoxypiperidin-1-yl)pyrazine-2-carboxylic acid
SMILESCCCOC1CCCN(c2cncc(C(=O)O)n2)C1
InChIInChI=1S/C13H19N3O3/c1-2-6-19-10-4-3-5-16(9-10)12-8-14-7-11(15-12)13(17)18/h7-8,10H,2-6,9H2,1H3,(H,17,18)
InChIKeyFRCBOVRLOHGPHC-UHFFFAOYSA-N
XLogP1.57
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-propoxypiperidin-1-yl)pyrazine-2-carboxylic acid?
The IUPAC name of 6-(3-propoxypiperidin-1-yl)pyrazine-2-carboxylic acid (CID 66450862) is 6-(3-propoxypiperidin-1-yl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-(3-propoxypiperidin-1-yl)pyrazine-2-carboxylic acid?
The canonical SMILES for 6-(3-propoxypiperidin-1-yl)pyrazine-2-carboxylic acid is CCCOC1CCCN(c2cncc(C(=O)O)n2)C1.
What is the InChIKey of 6-(3-propoxypiperidin-1-yl)pyrazine-2-carboxylic acid?
The InChIKey is FRCBOVRLOHGPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-2-6-19-10-4-3-5-16(9-10)12-8-14-7-11(15-12)13(17)18/h7-8,10H,2-6,9H2,1H3,(H,17,18).
What are the key properties of 6-(3-propoxypiperidin-1-yl)pyrazine-2-carboxylic acid?
6-(3-propoxypiperidin-1-yl)pyrazine-2-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-propoxypiperidin-1-yl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 66450862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).