5-fluoro-1-(2-methoxyethyl)-3-piperazin-1-ylpyridin-2-one

C12H18FN3O2 — CID 178099415

IUPAC5-fluoro-1-(2-methoxyethyl)-3-piperazin-1-ylpyridin-2-one
SMILESCOCCn1cc(F)cc(N2CCNCC2)c1=O
InChIInChI=1S/C12H18FN3O2/c1-18-7-6-16-9-10(13)8-11(12(16)17)15-4-2-14-3-5-15/h8-9,14H,2-7H2,1H3
InChIKeyNLTITEJRWNJDJC-UHFFFAOYSA-N
MW255.29 g/mol
LogP0.04
Rot. Bonds4

About 5-fluoro-1-(2-methoxyethyl)-3-piperazin-1-ylpyridin-2-one

5-fluoro-1-(2-methoxyethyl)-3-piperazin-1-ylpyridin-2-one (PubChem CID 178099415) has the molecular formula C12H18FN3O2 and a molecular weight of 255.29 g/mol. Its IUPAC name is 5-fluoro-1-(2-methoxyethyl)-3-piperazin-1-ylpyridin-2-one.

Molecular Properties

Compound Name5-fluoro-1-(2-methoxyethyl)-3-piperazin-1-ylpyridin-2-one
PubChem CID178099415
Molecular FormulaC12H18FN3O2
Molecular Weight255.29 g/mol
Exact Mass255.14
IUPAC Name5-fluoro-1-(2-methoxyethyl)-3-piperazin-1-ylpyridin-2-one
SMILESCOCCn1cc(F)cc(N2CCNCC2)c1=O
InChIInChI=1S/C12H18FN3O2/c1-18-7-6-16-9-10(13)8-11(12(16)17)15-4-2-14-3-5-15/h8-9,14H,2-7H2,1H3
InChIKeyNLTITEJRWNJDJC-UHFFFAOYSA-N
XLogP0.04
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(2-methoxyethyl)-3-piperazin-1-ylpyridin-2-one?
The IUPAC name of 5-fluoro-1-(2-methoxyethyl)-3-piperazin-1-ylpyridin-2-one (CID 178099415) is 5-fluoro-1-(2-methoxyethyl)-3-piperazin-1-ylpyridin-2-one.
What is the SMILES notation for 5-fluoro-1-(2-methoxyethyl)-3-piperazin-1-ylpyridin-2-one?
The canonical SMILES for 5-fluoro-1-(2-methoxyethyl)-3-piperazin-1-ylpyridin-2-one is COCCn1cc(F)cc(N2CCNCC2)c1=O.
What is the InChIKey of 5-fluoro-1-(2-methoxyethyl)-3-piperazin-1-ylpyridin-2-one?
The InChIKey is NLTITEJRWNJDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O2/c1-18-7-6-16-9-10(13)8-11(12(16)17)15-4-2-14-3-5-15/h8-9,14H,2-7H2,1H3.
What are the key properties of 5-fluoro-1-(2-methoxyethyl)-3-piperazin-1-ylpyridin-2-one?
5-fluoro-1-(2-methoxyethyl)-3-piperazin-1-ylpyridin-2-one has a molecular weight of 255.29 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(2-methoxyethyl)-3-piperazin-1-ylpyridin-2-one is sourced from PubChem (CID 178099415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).