1-ethyl-3-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one

C12H15F3N2O2 — CID 123611447

IUPAC1-ethyl-3-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one
SMILESCCn1ccc(C(F)(F)F)c(N2CCOCC2)c1=O
InChIInChI=1S/C12H15F3N2O2/c1-2-16-4-3-9(12(13,14)15)10(11(16)18)17-5-7-19-8-6-17/h3-4H,2,5-8H2,1H3
InChIKeyUAYKKRXKOODMJN-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.72
Rot. Bonds2

About 1-ethyl-3-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one

1-ethyl-3-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one (PubChem CID 123611447) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 1-ethyl-3-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-3-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one
PubChem CID123611447
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name1-ethyl-3-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one
SMILESCCn1ccc(C(F)(F)F)c(N2CCOCC2)c1=O
InChIInChI=1S/C12H15F3N2O2/c1-2-16-4-3-9(12(13,14)15)10(11(16)18)17-5-7-19-8-6-17/h3-4H,2,5-8H2,1H3
InChIKeyUAYKKRXKOODMJN-UHFFFAOYSA-N
XLogP1.72
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 94017593
3-morpholin-4-yl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 89495940
1-Tert-butyl-5-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one
CID 90395510
1-Tert-butyl-3-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one
CID 90395511
1-Methyl-5-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one
CID 90397004
1-Methyl-3-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one
CID 90397023
N-[1-(3-morpholin-4-ylpropyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]acetamide
CID 168075782
1-(2-Morpholin-4-yl-2-oxoethyl)-5-(trifluoromethyl)pyridin-2-one
CID 8195603
1-[2-(2-Methylmorpholin-4-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 45801539
1-[2-(3-Methylmorpholin-4-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 45812597
1-[2-(2,5-Dimethylmorpholin-4-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 51077402
N-methyl-N-(2-morpholin-4-ylethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 53569202

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-ethyl-3-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one (CID 123611447) is 1-ethyl-3-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-ethyl-3-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-ethyl-3-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one is CCn1ccc(C(F)(F)F)c(N2CCOCC2)c1=O.
What is the InChIKey of 1-ethyl-3-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one?
The InChIKey is UAYKKRXKOODMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-2-16-4-3-9(12(13,14)15)10(11(16)18)17-5-7-19-8-6-17/h3-4H,2,5-8H2,1H3.
What are the key properties of 1-ethyl-3-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one?
1-ethyl-3-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one has a molecular weight of 276.26 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 123611447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).