(3S)-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-2-one

C11H11F3N2O2 — CID 164633469

IUPAC(3S)-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-2-one
SMILESO=C1NCCC[C@@H]1Oc1cccc(C(F)(F)F)n1
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)8-4-1-5-9(16-8)18-7-3-2-6-15-10(7)17/h1,4-5,7H,2-3,6H2,(H,15,17)/t7-/m0/s1
InChIKeyPIWYXFYJDJWGGU-ZETCQYMHSA-N
MW260.21 g/mol
LogP1.76
Rot. Bonds2

About (3S)-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-2-one

(3S)-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-2-one (PubChem CID 164633469) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.21 g/mol. Its IUPAC name is (3S)-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-2-one.

Molecular Properties

Compound Name(3S)-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-2-one
PubChem CID164633469
Molecular FormulaC11H11F3N2O2
Molecular Weight260.21 g/mol
Exact Mass260.08
IUPAC Name(3S)-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-2-one
SMILESO=C1NCCC[C@@H]1Oc1cccc(C(F)(F)F)n1
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)8-4-1-5-9(16-8)18-7-3-2-6-15-10(7)17/h1,4-5,7H,2-3,6H2,(H,15,17)/t7-/m0/s1
InChIKeyPIWYXFYJDJWGGU-ZETCQYMHSA-N
XLogP1.76
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-2-one?
The IUPAC name of (3S)-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-2-one (CID 164633469) is (3S)-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-2-one.
What is the SMILES notation for (3S)-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-2-one?
The canonical SMILES for (3S)-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-2-one is O=C1NCCC[C@@H]1Oc1cccc(C(F)(F)F)n1.
What is the InChIKey of (3S)-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-2-one?
The InChIKey is PIWYXFYJDJWGGU-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c12-11(13,14)8-4-1-5-9(16-8)18-7-3-2-6-15-10(7)17/h1,4-5,7H,2-3,6H2,(H,15,17)/t7-/m0/s1.
What are the key properties of (3S)-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-2-one?
(3S)-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-2-one has a molecular weight of 260.21 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-2-one is sourced from PubChem (CID 164633469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).