1-(5-fluoro-3-pyridinyl)-3-(propan-2-ylamino)piperidin-2-one

C13H18FN3O — CID 114253939

IUPAC1-(5-fluoro-3-pyridinyl)-3-(propan-2-ylamino)piperidin-2-one
SMILESCC(C)NC1CCCN(c2cncc(F)c2)C1=O
InChIInChI=1S/C13H18FN3O/c1-9(2)16-12-4-3-5-17(13(12)18)11-6-10(14)7-15-8-11/h6-9,12,16H,3-5H2,1-2H3
InChIKeyYKZTXEDPGGZKKE-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.71
Rot. Bonds3

About 1-(5-fluoro-3-pyridinyl)-3-(propan-2-ylamino)piperidin-2-one

1-(5-fluoro-3-pyridinyl)-3-(propan-2-ylamino)piperidin-2-one (PubChem CID 114253939) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-(5-fluoro-3-pyridinyl)-3-(propan-2-ylamino)piperidin-2-one.

Molecular Properties

Compound Name1-(5-fluoro-3-pyridinyl)-3-(propan-2-ylamino)piperidin-2-one
PubChem CID114253939
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name1-(5-fluoro-3-pyridinyl)-3-(propan-2-ylamino)piperidin-2-one
SMILESCC(C)NC1CCCN(c2cncc(F)c2)C1=O
InChIInChI=1S/C13H18FN3O/c1-9(2)16-12-4-3-5-17(13(12)18)11-6-10(14)7-15-8-11/h6-9,12,16H,3-5H2,1-2H3
InChIKeyYKZTXEDPGGZKKE-UHFFFAOYSA-N
XLogP1.71
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-pyridinyl)-3-(propan-2-ylamino)piperidin-2-one?
The IUPAC name of 1-(5-fluoro-3-pyridinyl)-3-(propan-2-ylamino)piperidin-2-one (CID 114253939) is 1-(5-fluoro-3-pyridinyl)-3-(propan-2-ylamino)piperidin-2-one.
What is the SMILES notation for 1-(5-fluoro-3-pyridinyl)-3-(propan-2-ylamino)piperidin-2-one?
The canonical SMILES for 1-(5-fluoro-3-pyridinyl)-3-(propan-2-ylamino)piperidin-2-one is CC(C)NC1CCCN(c2cncc(F)c2)C1=O.
What is the InChIKey of 1-(5-fluoro-3-pyridinyl)-3-(propan-2-ylamino)piperidin-2-one?
The InChIKey is YKZTXEDPGGZKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-9(2)16-12-4-3-5-17(13(12)18)11-6-10(14)7-15-8-11/h6-9,12,16H,3-5H2,1-2H3.
What are the key properties of 1-(5-fluoro-3-pyridinyl)-3-(propan-2-ylamino)piperidin-2-one?
1-(5-fluoro-3-pyridinyl)-3-(propan-2-ylamino)piperidin-2-one has a molecular weight of 251.30 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-pyridinyl)-3-(propan-2-ylamino)piperidin-2-one is sourced from PubChem (CID 114253939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).