5-methoxy-2-[[2-(trifluoromethyl)morpholin-4-yl]methyl]-1H-pyridin-4-one

C12H15F3N2O3 — CID 56862557

IUPAC5-methoxy-2-[[2-(trifluoromethyl)morpholin-4-yl]methyl]-1H-pyridin-4-one
SMILESCOc1c[nH]c(CN2CCOC(C(F)(F)F)C2)cc1=O
InChIInChI=1S/C12H15F3N2O3/c1-19-10-5-16-8(4-9(10)18)6-17-2-3-20-11(7-17)12(13,14)15/h4-5,11H,2-3,6-7H2,1H3,(H,16,18)
InChIKeyHRIZMLGTGVUULJ-UHFFFAOYSA-N
MW292.26 g/mol
LogP1.15
Rot. Bonds3

About 5-methoxy-2-[[2-(trifluoromethyl)morpholin-4-yl]methyl]-1H-pyridin-4-one

5-methoxy-2-[[2-(trifluoromethyl)morpholin-4-yl]methyl]-1H-pyridin-4-one (PubChem CID 56862557) has the molecular formula C12H15F3N2O3 and a molecular weight of 292.26 g/mol. Its IUPAC name is 5-methoxy-2-[[2-(trifluoromethyl)morpholin-4-yl]methyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name5-methoxy-2-[[2-(trifluoromethyl)morpholin-4-yl]methyl]-1H-pyridin-4-one
PubChem CID56862557
Molecular FormulaC12H15F3N2O3
Molecular Weight292.26 g/mol
Exact Mass292.10
IUPAC Name5-methoxy-2-[[2-(trifluoromethyl)morpholin-4-yl]methyl]-1H-pyridin-4-one
SMILESCOc1c[nH]c(CN2CCOC(C(F)(F)F)C2)cc1=O
InChIInChI=1S/C12H15F3N2O3/c1-19-10-5-16-8(4-9(10)18)6-17-2-3-20-11(7-17)12(13,14)15/h4-5,11H,2-3,6-7H2,1H3,(H,16,18)
InChIKeyHRIZMLGTGVUULJ-UHFFFAOYSA-N
XLogP1.15
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-2-[[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methyl]-1H-pyridin-4-one
CID 95402328
6-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione
CID 95549733
4-methoxy-3-[[2-(trifluoromethyl)morpholin-4-yl]methyl]phenol
CID 56869028
5-methoxy-2-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]-1H-pyridin-4-one
CID 91843524
2-[[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]methyl]-5-methoxy-1H-pyridin-4-one
CID 95552651
2-[[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]methyl]-5-methoxy-1H-pyridin-4-one
CID 56906119
(3S,4S)-1-[(5-methoxy-4-oxo-1H-pyridin-2-yl)methyl]-4-propylpyrrolidine-3-carboxylic acid
CID 70706671
5-methoxy-2-[[(3S)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]-1H-pyridin-4-one
CID 124755014
5-methoxy-2-[[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]methyl]-1H-pyridin-4-one
CID 95715011
(2R)-4-ethyl-2-(trifluoromethyl)morpholine
CID 121359378
ethane;4-ethyl-2-(trifluoromethyl)morpholine
CID 178155697
4-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-2-(trifluoromethyl)morpholine
CID 56874321

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[[2-(trifluoromethyl)morpholin-4-yl]methyl]-1H-pyridin-4-one?
The IUPAC name of 5-methoxy-2-[[2-(trifluoromethyl)morpholin-4-yl]methyl]-1H-pyridin-4-one (CID 56862557) is 5-methoxy-2-[[2-(trifluoromethyl)morpholin-4-yl]methyl]-1H-pyridin-4-one.
What is the SMILES notation for 5-methoxy-2-[[2-(trifluoromethyl)morpholin-4-yl]methyl]-1H-pyridin-4-one?
The canonical SMILES for 5-methoxy-2-[[2-(trifluoromethyl)morpholin-4-yl]methyl]-1H-pyridin-4-one is COc1c[nH]c(CN2CCOC(C(F)(F)F)C2)cc1=O.
What is the InChIKey of 5-methoxy-2-[[2-(trifluoromethyl)morpholin-4-yl]methyl]-1H-pyridin-4-one?
The InChIKey is HRIZMLGTGVUULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3/c1-19-10-5-16-8(4-9(10)18)6-17-2-3-20-11(7-17)12(13,14)15/h4-5,11H,2-3,6-7H2,1H3,(H,16,18).
What are the key properties of 5-methoxy-2-[[2-(trifluoromethyl)morpholin-4-yl]methyl]-1H-pyridin-4-one?
5-methoxy-2-[[2-(trifluoromethyl)morpholin-4-yl]methyl]-1H-pyridin-4-one has a molecular weight of 292.26 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[[2-(trifluoromethyl)morpholin-4-yl]methyl]-1H-pyridin-4-one is sourced from PubChem (CID 56862557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).