3-amino-5-fluoro-1-piperidin-4-ylpyridin-2-one

C10H14FN3O — CID 137450147

IUPAC3-amino-5-fluoro-1-piperidin-4-ylpyridin-2-one
SMILESNc1cc(F)cn(C2CCNCC2)c1=O
InChIInChI=1S/C10H14FN3O/c11-7-5-9(12)10(15)14(6-7)8-1-3-13-4-2-8/h5-6,8,13H,1-4,12H2
InChIKeyKLBDPFOVZJIQSR-UHFFFAOYSA-N
MW211.24 g/mol
LogP0.49
Rot. Bonds1

About 3-amino-5-fluoro-1-piperidin-4-ylpyridin-2-one

3-amino-5-fluoro-1-piperidin-4-ylpyridin-2-one (PubChem CID 137450147) has the molecular formula C10H14FN3O and a molecular weight of 211.24 g/mol. Its IUPAC name is 3-amino-5-fluoro-1-piperidin-4-ylpyridin-2-one.

Molecular Properties

Compound Name3-amino-5-fluoro-1-piperidin-4-ylpyridin-2-one
PubChem CID137450147
Molecular FormulaC10H14FN3O
Molecular Weight211.24 g/mol
Exact Mass211.11
IUPAC Name3-amino-5-fluoro-1-piperidin-4-ylpyridin-2-one
SMILESNc1cc(F)cn(C2CCNCC2)c1=O
InChIInChI=1S/C10H14FN3O/c11-7-5-9(12)10(15)14(6-7)8-1-3-13-4-2-8/h5-6,8,13H,1-4,12H2
InChIKeyKLBDPFOVZJIQSR-UHFFFAOYSA-N
XLogP0.49
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-1-piperidin-4-ylpyridin-2-one?
The IUPAC name of 3-amino-5-fluoro-1-piperidin-4-ylpyridin-2-one (CID 137450147) is 3-amino-5-fluoro-1-piperidin-4-ylpyridin-2-one.
What is the SMILES notation for 3-amino-5-fluoro-1-piperidin-4-ylpyridin-2-one?
The canonical SMILES for 3-amino-5-fluoro-1-piperidin-4-ylpyridin-2-one is Nc1cc(F)cn(C2CCNCC2)c1=O.
What is the InChIKey of 3-amino-5-fluoro-1-piperidin-4-ylpyridin-2-one?
The InChIKey is KLBDPFOVZJIQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O/c11-7-5-9(12)10(15)14(6-7)8-1-3-13-4-2-8/h5-6,8,13H,1-4,12H2.
What are the key properties of 3-amino-5-fluoro-1-piperidin-4-ylpyridin-2-one?
3-amino-5-fluoro-1-piperidin-4-ylpyridin-2-one has a molecular weight of 211.24 g/mol, XLogP of 0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-1-piperidin-4-ylpyridin-2-one is sourced from PubChem (CID 137450147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).