5-piperidin-3-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one

C12H15F3N2O — CID 163237734

IUPAC5-piperidin-3-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one
SMILESO=c1ccc(C2CCCNC2)cn1CC(F)(F)F
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)8-17-7-10(3-4-11(17)18)9-2-1-5-16-6-9/h3-4,7,9,16H,1-2,5-6,8H2
InChIKeyONBCDNQGDAMZCW-UHFFFAOYSA-N
MW260.26 g/mol
LogP1.88
Rot. Bonds2

About 5-piperidin-3-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one

5-piperidin-3-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one (PubChem CID 163237734) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 5-piperidin-3-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one.

Molecular Properties

Compound Name5-piperidin-3-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one
PubChem CID163237734
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name5-piperidin-3-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one
SMILESO=c1ccc(C2CCCNC2)cn1CC(F)(F)F
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)8-17-7-10(3-4-11(17)18)9-2-1-5-16-6-9/h3-4,7,9,16H,1-2,5-6,8H2
InChIKeyONBCDNQGDAMZCW-UHFFFAOYSA-N
XLogP1.88
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-piperidin-3-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The IUPAC name of 5-piperidin-3-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one (CID 163237734) is 5-piperidin-3-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one.
What is the SMILES notation for 5-piperidin-3-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The canonical SMILES for 5-piperidin-3-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one is O=c1ccc(C2CCCNC2)cn1CC(F)(F)F.
What is the InChIKey of 5-piperidin-3-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The InChIKey is ONBCDNQGDAMZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c13-12(14,15)8-17-7-10(3-4-11(17)18)9-2-1-5-16-6-9/h3-4,7,9,16H,1-2,5-6,8H2.
What are the key properties of 5-piperidin-3-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one?
5-piperidin-3-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one has a molecular weight of 260.26 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-3-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one is sourced from PubChem (CID 163237734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).