1-[4-[6-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanone

C17H18FN3O — CID 95819548

IUPAC1-[4-[6-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2cncc(-c3cccc(F)c3)n2)CC1
InChIInChI=1S/C17H18FN3O/c1-12(22)21-7-5-13(6-8-21)16-10-19-11-17(20-16)14-3-2-4-15(18)9-14/h2-4,9-11,13H,5-8H2,1H3
InChIKeyOGJHTFDOJSHVJC-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.01
Rot. Bonds2

About 1-[4-[6-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanone

1-[4-[6-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanone (PubChem CID 95819548) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is 1-[4-[6-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
PubChem CID95819548
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name1-[4-[6-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2cncc(-c3cccc(F)c3)n2)CC1
InChIInChI=1S/C17H18FN3O/c1-12(22)21-7-5-13(6-8-21)16-10-19-11-17(20-16)14-3-2-4-15(18)9-14/h2-4,9-11,13H,5-8H2,1H3
InChIKeyOGJHTFDOJSHVJC-UHFFFAOYSA-N
XLogP3.01
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanone (CID 95819548) is 1-[4-[6-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2cncc(-c3cccc(F)c3)n2)CC1.
What is the InChIKey of 1-[4-[6-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is OGJHTFDOJSHVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O/c1-12(22)21-7-5-13(6-8-21)16-10-19-11-17(20-16)14-3-2-4-15(18)9-14/h2-4,9-11,13H,5-8H2,1H3.
What are the key properties of 1-[4-[6-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanone?
1-[4-[6-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 299.35 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95819548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).