1-(3-fluoropiperidin-4-yl)-3-propan-2-ylpyridin-2-one

C13H19FN2O — CID 177200058

IUPAC1-(3-fluoropiperidin-4-yl)-3-propan-2-ylpyridin-2-one
SMILESCC(C)c1cccn(C2CCNCC2F)c1=O
InChIInChI=1S/C13H19FN2O/c1-9(2)10-4-3-7-16(13(10)17)12-5-6-15-8-11(12)14/h3-4,7,9,11-12,15H,5-6,8H2,1-2H3
InChIKeyQADQSTULEMRTSP-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.84
Rot. Bonds2

About 1-(3-fluoropiperidin-4-yl)-3-propan-2-ylpyridin-2-one

1-(3-fluoropiperidin-4-yl)-3-propan-2-ylpyridin-2-one (PubChem CID 177200058) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 1-(3-fluoropiperidin-4-yl)-3-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name1-(3-fluoropiperidin-4-yl)-3-propan-2-ylpyridin-2-one
PubChem CID177200058
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name1-(3-fluoropiperidin-4-yl)-3-propan-2-ylpyridin-2-one
SMILESCC(C)c1cccn(C2CCNCC2F)c1=O
InChIInChI=1S/C13H19FN2O/c1-9(2)10-4-3-7-16(13(10)17)12-5-6-15-8-11(12)14/h3-4,7,9,11-12,15H,5-6,8H2,1-2H3
InChIKeyQADQSTULEMRTSP-UHFFFAOYSA-N
XLogP1.84
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropiperidin-4-yl)-3-propan-2-ylpyridin-2-one?
The IUPAC name of 1-(3-fluoropiperidin-4-yl)-3-propan-2-ylpyridin-2-one (CID 177200058) is 1-(3-fluoropiperidin-4-yl)-3-propan-2-ylpyridin-2-one.
What is the SMILES notation for 1-(3-fluoropiperidin-4-yl)-3-propan-2-ylpyridin-2-one?
The canonical SMILES for 1-(3-fluoropiperidin-4-yl)-3-propan-2-ylpyridin-2-one is CC(C)c1cccn(C2CCNCC2F)c1=O.
What is the InChIKey of 1-(3-fluoropiperidin-4-yl)-3-propan-2-ylpyridin-2-one?
The InChIKey is QADQSTULEMRTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-9(2)10-4-3-7-16(13(10)17)12-5-6-15-8-11(12)14/h3-4,7,9,11-12,15H,5-6,8H2,1-2H3.
What are the key properties of 1-(3-fluoropiperidin-4-yl)-3-propan-2-ylpyridin-2-one?
1-(3-fluoropiperidin-4-yl)-3-propan-2-ylpyridin-2-one has a molecular weight of 238.31 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropiperidin-4-yl)-3-propan-2-ylpyridin-2-one is sourced from PubChem (CID 177200058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).