3-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-4-one

C12H13F3N2O2 — CID 103386608

IUPAC3-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-4-one
SMILESO=C(c1c[nH]ccc1=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)8-2-5-17(6-3-8)11(19)9-7-16-4-1-10(9)18/h1,4,7-8H,2-3,5-6H2,(H,16,18)
InChIKeyJTMOWBQRMYIOJI-UHFFFAOYSA-N
MW274.24 g/mol
LogP1.79
Rot. Bonds1

About 3-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-4-one

3-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-4-one (PubChem CID 103386608) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-4-one
PubChem CID103386608
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name3-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-4-one
SMILESO=C(c1c[nH]ccc1=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)8-2-5-17(6-3-8)11(19)9-7-16-4-1-10(9)18/h1,4,7-8H,2-3,5-6H2,(H,16,18)
InChIKeyJTMOWBQRMYIOJI-UHFFFAOYSA-N
XLogP1.79
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-4-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 3-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-4-one?
The IUPAC name of 3-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-4-one (CID 103386608) is 3-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-4-one.
What is the SMILES notation for 3-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-4-one?
The canonical SMILES for 3-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-4-one is O=C(c1c[nH]ccc1=O)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 3-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-4-one?
The InChIKey is JTMOWBQRMYIOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c13-12(14,15)8-2-5-17(6-3-8)11(19)9-7-16-4-1-10(9)18/h1,4,7-8H,2-3,5-6H2,(H,16,18).
What are the key properties of 3-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-4-one?
3-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-4-one has a molecular weight of 274.24 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-4-one is sourced from PubChem (CID 103386608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).