5-fluoro-1-(2-oxo-2-piperazin-1-ylethyl)pyridin-2-one

C11H14FN3O2 — CID 82147628

IUPAC5-fluoro-1-(2-oxo-2-piperazin-1-ylethyl)pyridin-2-one
SMILESO=C(Cn1cc(F)ccc1=O)N1CCNCC1
InChIInChI=1S/C11H14FN3O2/c12-9-1-2-10(16)15(7-9)8-11(17)14-5-3-13-4-6-14/h1-2,7,13H,3-6,8H2
InChIKeyFPSUYBLXBCBVGH-UHFFFAOYSA-N
MW239.25 g/mol
LogP-0.58
Rot. Bonds2

About 5-fluoro-1-(2-oxo-2-piperazin-1-ylethyl)pyridin-2-one

5-fluoro-1-(2-oxo-2-piperazin-1-ylethyl)pyridin-2-one (PubChem CID 82147628) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is 5-fluoro-1-(2-oxo-2-piperazin-1-ylethyl)pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-1-(2-oxo-2-piperazin-1-ylethyl)pyridin-2-one
PubChem CID82147628
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC Name5-fluoro-1-(2-oxo-2-piperazin-1-ylethyl)pyridin-2-one
SMILESO=C(Cn1cc(F)ccc1=O)N1CCNCC1
InChIInChI=1S/C11H14FN3O2/c12-9-1-2-10(16)15(7-9)8-11(17)14-5-3-13-4-6-14/h1-2,7,13H,3-6,8H2
InChIKeyFPSUYBLXBCBVGH-UHFFFAOYSA-N
XLogP-0.58
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(2-oxo-2-piperazin-1-ylethyl)pyridin-2-one?
The IUPAC name of 5-fluoro-1-(2-oxo-2-piperazin-1-ylethyl)pyridin-2-one (CID 82147628) is 5-fluoro-1-(2-oxo-2-piperazin-1-ylethyl)pyridin-2-one.
What is the SMILES notation for 5-fluoro-1-(2-oxo-2-piperazin-1-ylethyl)pyridin-2-one?
The canonical SMILES for 5-fluoro-1-(2-oxo-2-piperazin-1-ylethyl)pyridin-2-one is O=C(Cn1cc(F)ccc1=O)N1CCNCC1.
What is the InChIKey of 5-fluoro-1-(2-oxo-2-piperazin-1-ylethyl)pyridin-2-one?
The InChIKey is FPSUYBLXBCBVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O2/c12-9-1-2-10(16)15(7-9)8-11(17)14-5-3-13-4-6-14/h1-2,7,13H,3-6,8H2.
What are the key properties of 5-fluoro-1-(2-oxo-2-piperazin-1-ylethyl)pyridin-2-one?
5-fluoro-1-(2-oxo-2-piperazin-1-ylethyl)pyridin-2-one has a molecular weight of 239.25 g/mol, XLogP of -0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(2-oxo-2-piperazin-1-ylethyl)pyridin-2-one is sourced from PubChem (CID 82147628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).