1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one

C15H19F3N2O3 — CID 72879524

IUPAC1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(C(F)(F)F)cc(=O)n1CC(=O)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C15H19F3N2O3/c1-9-4-12(15(16,17)18)5-13(21)20(9)8-14(22)19-6-10(2)23-11(3)7-19/h4-5,10-11H,6-8H2,1-3H3/t10-,11+
InChIKeyWOQZDLCHRBNJDL-PHIMTYICSA-N
MW332.32 g/mol
LogP1.81
Rot. Bonds2

About 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one

1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one (PubChem CID 72879524) has the molecular formula C15H19F3N2O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one
PubChem CID72879524
Molecular FormulaC15H19F3N2O3
Molecular Weight332.32 g/mol
Exact Mass332.13
IUPAC Name1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(C(F)(F)F)cc(=O)n1CC(=O)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C15H19F3N2O3/c1-9-4-12(15(16,17)18)5-13(21)20(9)8-14(22)19-6-10(2)23-11(3)7-19/h4-5,10-11H,6-8H2,1-3H3/t10-,11+
InChIKeyWOQZDLCHRBNJDL-PHIMTYICSA-N
XLogP1.81
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one (CID 72879524) is 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one is Cc1cc(C(F)(F)F)cc(=O)n1CC(=O)N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one?
The InChIKey is WOQZDLCHRBNJDL-PHIMTYICSA-N. The full InChI is InChI=1S/C15H19F3N2O3/c1-9-4-12(15(16,17)18)5-13(21)20(9)8-14(22)19-6-10(2)23-11(3)7-19/h4-5,10-11H,6-8H2,1-3H3/t10-,11+.
What are the key properties of 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one?
1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one has a molecular weight of 332.32 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 72879524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).