6-(4-fluorophenyl)-5-piperidin-1-ylpyrazine-2-carboxylic acid

C16H16FN3O2 — CID 67504923

IUPAC6-(4-fluorophenyl)-5-piperidin-1-ylpyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(N2CCCCC2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H16FN3O2/c17-12-6-4-11(5-7-12)14-15(20-8-2-1-3-9-20)18-10-13(19-14)16(21)22/h4-7,10H,1-3,8-9H2,(H,21,22)
InChIKeyMXVUEZGYUSSJQU-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.97
Rot. Bonds3

About 6-(4-fluorophenyl)-5-piperidin-1-ylpyrazine-2-carboxylic acid

6-(4-fluorophenyl)-5-piperidin-1-ylpyrazine-2-carboxylic acid (PubChem CID 67504923) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-5-piperidin-1-ylpyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-fluorophenyl)-5-piperidin-1-ylpyrazine-2-carboxylic acid
PubChem CID67504923
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name6-(4-fluorophenyl)-5-piperidin-1-ylpyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(N2CCCCC2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H16FN3O2/c17-12-6-4-11(5-7-12)14-15(20-8-2-1-3-9-20)18-10-13(19-14)16(21)22/h4-7,10H,1-3,8-9H2,(H,21,22)
InChIKeyMXVUEZGYUSSJQU-UHFFFAOYSA-N
XLogP2.97
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-5-piperidin-1-ylpyrazine-2-carboxylic acid?
The IUPAC name of 6-(4-fluorophenyl)-5-piperidin-1-ylpyrazine-2-carboxylic acid (CID 67504923) is 6-(4-fluorophenyl)-5-piperidin-1-ylpyrazine-2-carboxylic acid.
What is the SMILES notation for 6-(4-fluorophenyl)-5-piperidin-1-ylpyrazine-2-carboxylic acid?
The canonical SMILES for 6-(4-fluorophenyl)-5-piperidin-1-ylpyrazine-2-carboxylic acid is O=C(O)c1cnc(N2CCCCC2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 6-(4-fluorophenyl)-5-piperidin-1-ylpyrazine-2-carboxylic acid?
The InChIKey is MXVUEZGYUSSJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c17-12-6-4-11(5-7-12)14-15(20-8-2-1-3-9-20)18-10-13(19-14)16(21)22/h4-7,10H,1-3,8-9H2,(H,21,22).
What are the key properties of 6-(4-fluorophenyl)-5-piperidin-1-ylpyrazine-2-carboxylic acid?
6-(4-fluorophenyl)-5-piperidin-1-ylpyrazine-2-carboxylic acid has a molecular weight of 301.32 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-5-piperidin-1-ylpyrazine-2-carboxylic acid is sourced from PubChem (CID 67504923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).