3-(3-fluoro-4-propan-2-ylanilino)-6-hydroxypiperidin-2-one

C14H19FN2O2 — CID 176933779

IUPAC3-(3-fluoro-4-propan-2-ylanilino)-6-hydroxypiperidin-2-one
SMILESCC(C)c1ccc(NC2CCC(O)NC2=O)cc1F
InChIInChI=1S/C14H19FN2O2/c1-8(2)10-4-3-9(7-11(10)15)16-12-5-6-13(18)17-14(12)19/h3-4,7-8,12-13,16,18H,5-6H2,1-2H3,(H,17,19)
InChIKeyFJEKZZYGZZXEBQ-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.96
Rot. Bonds3

About 3-(3-fluoro-4-propan-2-ylanilino)-6-hydroxypiperidin-2-one

3-(3-fluoro-4-propan-2-ylanilino)-6-hydroxypiperidin-2-one (PubChem CID 176933779) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 3-(3-fluoro-4-propan-2-ylanilino)-6-hydroxypiperidin-2-one.

Molecular Properties

Compound Name3-(3-fluoro-4-propan-2-ylanilino)-6-hydroxypiperidin-2-one
PubChem CID176933779
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name3-(3-fluoro-4-propan-2-ylanilino)-6-hydroxypiperidin-2-one
SMILESCC(C)c1ccc(NC2CCC(O)NC2=O)cc1F
InChIInChI=1S/C14H19FN2O2/c1-8(2)10-4-3-9(7-11(10)15)16-12-5-6-13(18)17-14(12)19/h3-4,7-8,12-13,16,18H,5-6H2,1-2H3,(H,17,19)
InChIKeyFJEKZZYGZZXEBQ-UHFFFAOYSA-N
XLogP1.96
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-propan-2-ylanilino)-6-hydroxypiperidin-2-one?
The IUPAC name of 3-(3-fluoro-4-propan-2-ylanilino)-6-hydroxypiperidin-2-one (CID 176933779) is 3-(3-fluoro-4-propan-2-ylanilino)-6-hydroxypiperidin-2-one.
What is the SMILES notation for 3-(3-fluoro-4-propan-2-ylanilino)-6-hydroxypiperidin-2-one?
The canonical SMILES for 3-(3-fluoro-4-propan-2-ylanilino)-6-hydroxypiperidin-2-one is CC(C)c1ccc(NC2CCC(O)NC2=O)cc1F.
What is the InChIKey of 3-(3-fluoro-4-propan-2-ylanilino)-6-hydroxypiperidin-2-one?
The InChIKey is FJEKZZYGZZXEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-8(2)10-4-3-9(7-11(10)15)16-12-5-6-13(18)17-14(12)19/h3-4,7-8,12-13,16,18H,5-6H2,1-2H3,(H,17,19).
What are the key properties of 3-(3-fluoro-4-propan-2-ylanilino)-6-hydroxypiperidin-2-one?
3-(3-fluoro-4-propan-2-ylanilino)-6-hydroxypiperidin-2-one has a molecular weight of 266.32 g/mol, XLogP of 1.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-propan-2-ylanilino)-6-hydroxypiperidin-2-one is sourced from PubChem (CID 176933779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).