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

C12H13F3N2O2 — CID 107358486

IUPAC3-[3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-4-one
SMILESO=C(c1c[nH]ccc1=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)8-2-1-5-17(7-8)11(19)9-6-16-4-3-10(9)18/h3-4,6,8H,1-2,5,7H2,(H,16,18)
InChIKeyWYEZIFHEKWLPBW-UHFFFAOYSA-N
MW274.24 g/mol
LogP1.79
Rot. Bonds1

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

3-[3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-4-one (PubChem CID 107358486) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-4-one
PubChem CID107358486
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name3-[3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-4-one
SMILESO=C(c1c[nH]ccc1=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)8-2-1-5-17(7-8)11(19)9-6-16-4-3-10(9)18/h3-4,6,8H,1-2,5,7H2,(H,16,18)
InChIKeyWYEZIFHEKWLPBW-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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-4-one?
The IUPAC name of 3-[3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-4-one (CID 107358486) is 3-[3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-4-one.
What is the SMILES notation for 3-[3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-4-one?
The canonical SMILES for 3-[3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-4-one is O=C(c1c[nH]ccc1=O)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 3-[3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-4-one?
The InChIKey is WYEZIFHEKWLPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c13-12(14,15)8-2-1-5-17(7-8)11(19)9-6-16-4-3-10(9)18/h3-4,6,8H,1-2,5,7H2,(H,16,18).
What are the key properties of 3-[3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-4-one?
3-[3-(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-[3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-4-one is sourced from PubChem (CID 107358486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).