3-(piperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one

C12H13F3N2O2 — CID 60708509

IUPAC3-(piperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=C(c1ccc(C(F)(F)F)[nH]c1=O)N1CCCCC1
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)9-5-4-8(10(18)16-9)11(19)17-6-2-1-3-7-17/h4-5H,1-3,6-7H2,(H,16,18)
InChIKeyAYTWXDUVZMAJST-UHFFFAOYSA-N
MW274.24 g/mol
LogP2.02
Rot. Bonds1

About 3-(piperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one

3-(piperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 60708509) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is 3-(piperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(piperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID60708509
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name3-(piperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=C(c1ccc(C(F)(F)F)[nH]c1=O)N1CCCCC1
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)9-5-4-8(10(18)16-9)11(19)17-6-2-1-3-7-17/h4-5H,1-3,6-7H2,(H,16,18)
InChIKeyAYTWXDUVZMAJST-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(piperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-(piperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one (CID 60708509) is 3-(piperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(piperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(piperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one is O=C(c1ccc(C(F)(F)F)[nH]c1=O)N1CCCCC1.
What is the InChIKey of 3-(piperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is AYTWXDUVZMAJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c13-12(14,15)9-5-4-8(10(18)16-9)11(19)17-6-2-1-3-7-17/h4-5H,1-3,6-7H2,(H,16,18).
What are the key properties of 3-(piperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
3-(piperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 274.24 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 60708509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).