1-[2-(2,5-dimethylmorpholin-4-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one

C14H17F3N2O3 — CID 51077402

IUPAC1-[2-(2,5-dimethylmorpholin-4-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCC1CN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)C(C)CO1
InChIInChI=1S/C14H17F3N2O3/c1-9-8-22-10(2)5-19(9)13(21)7-18-6-11(14(15,16)17)3-4-12(18)20/h3-4,6,9-10H,5,7-8H2,1-2H3
InChIKeyGWMRBRPRMXAMAV-UHFFFAOYSA-N
MW318.30 g/mol
LogP1.50
Rot. Bonds2

About 1-[2-(2,5-dimethylmorpholin-4-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one

1-[2-(2,5-dimethylmorpholin-4-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 51077402) has the molecular formula C14H17F3N2O3 and a molecular weight of 318.30 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylmorpholin-4-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-(2,5-dimethylmorpholin-4-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID51077402
Molecular FormulaC14H17F3N2O3
Molecular Weight318.30 g/mol
Exact Mass318.12
IUPAC Name1-[2-(2,5-dimethylmorpholin-4-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCC1CN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)C(C)CO1
InChIInChI=1S/C14H17F3N2O3/c1-9-8-22-10(2)5-19(9)13(21)7-18-6-11(14(15,16)17)3-4-12(18)20/h3-4,6,9-10H,5,7-8H2,1-2H3
InChIKeyGWMRBRPRMXAMAV-UHFFFAOYSA-N
XLogP1.50
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylmorpholin-4-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-(2,5-dimethylmorpholin-4-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one (CID 51077402) is 1-[2-(2,5-dimethylmorpholin-4-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-(2,5-dimethylmorpholin-4-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-(2,5-dimethylmorpholin-4-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one is CC1CN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)C(C)CO1.
What is the InChIKey of 1-[2-(2,5-dimethylmorpholin-4-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is GWMRBRPRMXAMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O3/c1-9-8-22-10(2)5-19(9)13(21)7-18-6-11(14(15,16)17)3-4-12(18)20/h3-4,6,9-10H,5,7-8H2,1-2H3.
What are the key properties of 1-[2-(2,5-dimethylmorpholin-4-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
1-[2-(2,5-dimethylmorpholin-4-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 318.30 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylmorpholin-4-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 51077402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).