1-(2-piperidin-3-ylethyl)-6-(trifluoromethyl)pyridin-2-one

C13H17F3N2O — CID 81320326

IUPAC1-(2-piperidin-3-ylethyl)-6-(trifluoromethyl)pyridin-2-one
SMILESO=c1cccc(C(F)(F)F)n1CCC1CCCNC1
InChIInChI=1S/C13H17F3N2O/c14-13(15,16)11-4-1-5-12(19)18(11)8-6-10-3-2-7-17-9-10/h1,4-5,10,17H,2-3,6-9H2
InChIKeyWKUREOBHQCANKH-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.26
Rot. Bonds3

About 1-(2-piperidin-3-ylethyl)-6-(trifluoromethyl)pyridin-2-one

1-(2-piperidin-3-ylethyl)-6-(trifluoromethyl)pyridin-2-one (PubChem CID 81320326) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 1-(2-piperidin-3-ylethyl)-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(2-piperidin-3-ylethyl)-6-(trifluoromethyl)pyridin-2-one
PubChem CID81320326
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name1-(2-piperidin-3-ylethyl)-6-(trifluoromethyl)pyridin-2-one
SMILESO=c1cccc(C(F)(F)F)n1CCC1CCCNC1
InChIInChI=1S/C13H17F3N2O/c14-13(15,16)11-4-1-5-12(19)18(11)8-6-10-3-2-7-17-9-10/h1,4-5,10,17H,2-3,6-9H2
InChIKeyWKUREOBHQCANKH-UHFFFAOYSA-N
XLogP2.26
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-piperidin-3-ylethyl)-6-(trifluoromethyl)pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-3-ylethyl)-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(2-piperidin-3-ylethyl)-6-(trifluoromethyl)pyridin-2-one (CID 81320326) is 1-(2-piperidin-3-ylethyl)-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(2-piperidin-3-ylethyl)-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(2-piperidin-3-ylethyl)-6-(trifluoromethyl)pyridin-2-one is O=c1cccc(C(F)(F)F)n1CCC1CCCNC1.
What is the InChIKey of 1-(2-piperidin-3-ylethyl)-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is WKUREOBHQCANKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c14-13(15,16)11-4-1-5-12(19)18(11)8-6-10-3-2-7-17-9-10/h1,4-5,10,17H,2-3,6-9H2.
What are the key properties of 1-(2-piperidin-3-ylethyl)-6-(trifluoromethyl)pyridin-2-one?
1-(2-piperidin-3-ylethyl)-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 274.29 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-3-ylethyl)-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 81320326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).