3-[4-(4-fluorophenyl)-5-oxo-6-piperidin-1-ylpyrazin-2-yl]propanoic acid

C18H20FN3O3 — CID 146242961

IUPAC3-[4-(4-fluorophenyl)-5-oxo-6-piperidin-1-ylpyrazin-2-yl]propanoic acid
SMILESO=C(O)CCc1cn(-c2ccc(F)cc2)c(=O)c(N2CCCCC2)n1
InChIInChI=1S/C18H20FN3O3/c19-13-4-7-15(8-5-13)22-12-14(6-9-16(23)24)20-17(18(22)25)21-10-2-1-3-11-21/h4-5,7-8,12H,1-3,6,9-11H2,(H,23,24)
InChIKeyGLLDPXQCYKJFHZ-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.38
Rot. Bonds5

About 3-[4-(4-fluorophenyl)-5-oxo-6-piperidin-1-ylpyrazin-2-yl]propanoic acid

3-[4-(4-fluorophenyl)-5-oxo-6-piperidin-1-ylpyrazin-2-yl]propanoic acid (PubChem CID 146242961) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)-5-oxo-6-piperidin-1-ylpyrazin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)-5-oxo-6-piperidin-1-ylpyrazin-2-yl]propanoic acid
PubChem CID146242961
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name3-[4-(4-fluorophenyl)-5-oxo-6-piperidin-1-ylpyrazin-2-yl]propanoic acid
SMILESO=C(O)CCc1cn(-c2ccc(F)cc2)c(=O)c(N2CCCCC2)n1
InChIInChI=1S/C18H20FN3O3/c19-13-4-7-15(8-5-13)22-12-14(6-9-16(23)24)20-17(18(22)25)21-10-2-1-3-11-21/h4-5,7-8,12H,1-3,6,9-11H2,(H,23,24)
InChIKeyGLLDPXQCYKJFHZ-UHFFFAOYSA-N
XLogP2.38
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)-5-oxo-6-piperidin-1-ylpyrazin-2-yl]propanoic acid?
The IUPAC name of 3-[4-(4-fluorophenyl)-5-oxo-6-piperidin-1-ylpyrazin-2-yl]propanoic acid (CID 146242961) is 3-[4-(4-fluorophenyl)-5-oxo-6-piperidin-1-ylpyrazin-2-yl]propanoic acid.
What is the SMILES notation for 3-[4-(4-fluorophenyl)-5-oxo-6-piperidin-1-ylpyrazin-2-yl]propanoic acid?
The canonical SMILES for 3-[4-(4-fluorophenyl)-5-oxo-6-piperidin-1-ylpyrazin-2-yl]propanoic acid is O=C(O)CCc1cn(-c2ccc(F)cc2)c(=O)c(N2CCCCC2)n1.
What is the InChIKey of 3-[4-(4-fluorophenyl)-5-oxo-6-piperidin-1-ylpyrazin-2-yl]propanoic acid?
The InChIKey is GLLDPXQCYKJFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c19-13-4-7-15(8-5-13)22-12-14(6-9-16(23)24)20-17(18(22)25)21-10-2-1-3-11-21/h4-5,7-8,12H,1-3,6,9-11H2,(H,23,24).
What are the key properties of 3-[4-(4-fluorophenyl)-5-oxo-6-piperidin-1-ylpyrazin-2-yl]propanoic acid?
3-[4-(4-fluorophenyl)-5-oxo-6-piperidin-1-ylpyrazin-2-yl]propanoic acid has a molecular weight of 345.37 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)-5-oxo-6-piperidin-1-ylpyrazin-2-yl]propanoic acid is sourced from PubChem (CID 146242961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).