5-fluoro-1-(1-piperazin-1-ylpropan-2-yl)pyridin-2-one

C12H18FN3O — CID 82511147

IUPAC5-fluoro-1-(1-piperazin-1-ylpropan-2-yl)pyridin-2-one
SMILESCC(CN1CCNCC1)n1cc(F)ccc1=O
InChIInChI=1S/C12H18FN3O/c1-10(8-15-6-4-14-5-7-15)16-9-11(13)2-3-12(16)17/h2-3,9-10,14H,4-8H2,1H3
InChIKeyXCFSYCSPMVQXBZ-UHFFFAOYSA-N
MW239.29 g/mol
LogP0.45
Rot. Bonds3

About 5-fluoro-1-(1-piperazin-1-ylpropan-2-yl)pyridin-2-one

5-fluoro-1-(1-piperazin-1-ylpropan-2-yl)pyridin-2-one (PubChem CID 82511147) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 5-fluoro-1-(1-piperazin-1-ylpropan-2-yl)pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-1-(1-piperazin-1-ylpropan-2-yl)pyridin-2-one
PubChem CID82511147
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name5-fluoro-1-(1-piperazin-1-ylpropan-2-yl)pyridin-2-one
SMILESCC(CN1CCNCC1)n1cc(F)ccc1=O
InChIInChI=1S/C12H18FN3O/c1-10(8-15-6-4-14-5-7-15)16-9-11(13)2-3-12(16)17/h2-3,9-10,14H,4-8H2,1H3
InChIKeyXCFSYCSPMVQXBZ-UHFFFAOYSA-N
XLogP0.45
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(1-piperazin-1-ylpropan-2-yl)pyridin-2-one?
The IUPAC name of 5-fluoro-1-(1-piperazin-1-ylpropan-2-yl)pyridin-2-one (CID 82511147) is 5-fluoro-1-(1-piperazin-1-ylpropan-2-yl)pyridin-2-one.
What is the SMILES notation for 5-fluoro-1-(1-piperazin-1-ylpropan-2-yl)pyridin-2-one?
The canonical SMILES for 5-fluoro-1-(1-piperazin-1-ylpropan-2-yl)pyridin-2-one is CC(CN1CCNCC1)n1cc(F)ccc1=O.
What is the InChIKey of 5-fluoro-1-(1-piperazin-1-ylpropan-2-yl)pyridin-2-one?
The InChIKey is XCFSYCSPMVQXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-10(8-15-6-4-14-5-7-15)16-9-11(13)2-3-12(16)17/h2-3,9-10,14H,4-8H2,1H3.
What are the key properties of 5-fluoro-1-(1-piperazin-1-ylpropan-2-yl)pyridin-2-one?
5-fluoro-1-(1-piperazin-1-ylpropan-2-yl)pyridin-2-one has a molecular weight of 239.29 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(1-piperazin-1-ylpropan-2-yl)pyridin-2-one is sourced from PubChem (CID 82511147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).