3-methyl-5-[2-[2-(trifluoromethyl)phenyl]morpholine-4-carbonyl]-1H-pyridin-4-one

C18H17F3N2O3 — CID 136522206

IUPAC3-methyl-5-[2-[2-(trifluoromethyl)phenyl]morpholine-4-carbonyl]-1H-pyridin-4-one
SMILESCc1c[nH]cc(C(=O)N2CCOC(c3ccccc3C(F)(F)F)C2)c1=O
InChIInChI=1S/C18H17F3N2O3/c1-11-8-22-9-13(16(11)24)17(25)23-6-7-26-15(10-23)12-4-2-3-5-14(12)18(19,20)21/h2-5,8-9,15H,6-7,10H2,1H3,(H,22,24)
InChIKeyLQRXWHFFZSVSPA-UHFFFAOYSA-N
MW366.34 g/mol
LogP2.92
Rot. Bonds2

About 3-methyl-5-[2-[2-(trifluoromethyl)phenyl]morpholine-4-carbonyl]-1H-pyridin-4-one

3-methyl-5-[2-[2-(trifluoromethyl)phenyl]morpholine-4-carbonyl]-1H-pyridin-4-one (PubChem CID 136522206) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is 3-methyl-5-[2-[2-(trifluoromethyl)phenyl]morpholine-4-carbonyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name3-methyl-5-[2-[2-(trifluoromethyl)phenyl]morpholine-4-carbonyl]-1H-pyridin-4-one
PubChem CID136522206
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC Name3-methyl-5-[2-[2-(trifluoromethyl)phenyl]morpholine-4-carbonyl]-1H-pyridin-4-one
SMILESCc1c[nH]cc(C(=O)N2CCOC(c3ccccc3C(F)(F)F)C2)c1=O
InChIInChI=1S/C18H17F3N2O3/c1-11-8-22-9-13(16(11)24)17(25)23-6-7-26-15(10-23)12-4-2-3-5-14(12)18(19,20)21/h2-5,8-9,15H,6-7,10H2,1H3,(H,22,24)
InChIKeyLQRXWHFFZSVSPA-UHFFFAOYSA-N
XLogP2.92
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methylpyrazol-4-yl)-[2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
CID 75501601
[2-(4-methylphenyl)morpholin-4-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 121134814
2-methyl-5-[(2R)-2-(2-methylphenyl)morpholine-4-carbonyl]-1H-pyridin-4-one
CID 97072792
oxolan-3-yl-[2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
CID 86786762
(2-chlorophenyl)-[2-(2-chlorophenyl)morpholin-4-yl]methanone
CID 110326868
3-[(2R)-2-(2-fluorophenyl)morpholine-4-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one
CID 95174394
5-[2-(2-fluorophenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid
CID 119183971
[2-fluoro-3-(trifluoromethyl)phenyl]-(2-methylmorpholin-4-yl)methanone
CID 79885901
[2-bromo-3-(trifluoromethyl)phenyl]-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172647312
4-[2-(2-fluorophenyl)morpholine-4-carbonyl]-3H-1,3-thiazol-2-one
CID 136532193
ethyl 2-(2-methylphenyl)morpholine-4-carboxylate
CID 71684137
(4-methylmorpholin-2-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 79078104

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-[2-(trifluoromethyl)phenyl]morpholine-4-carbonyl]-1H-pyridin-4-one?
The IUPAC name of 3-methyl-5-[2-[2-(trifluoromethyl)phenyl]morpholine-4-carbonyl]-1H-pyridin-4-one (CID 136522206) is 3-methyl-5-[2-[2-(trifluoromethyl)phenyl]morpholine-4-carbonyl]-1H-pyridin-4-one.
What is the SMILES notation for 3-methyl-5-[2-[2-(trifluoromethyl)phenyl]morpholine-4-carbonyl]-1H-pyridin-4-one?
The canonical SMILES for 3-methyl-5-[2-[2-(trifluoromethyl)phenyl]morpholine-4-carbonyl]-1H-pyridin-4-one is Cc1c[nH]cc(C(=O)N2CCOC(c3ccccc3C(F)(F)F)C2)c1=O.
What is the InChIKey of 3-methyl-5-[2-[2-(trifluoromethyl)phenyl]morpholine-4-carbonyl]-1H-pyridin-4-one?
The InChIKey is LQRXWHFFZSVSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c1-11-8-22-9-13(16(11)24)17(25)23-6-7-26-15(10-23)12-4-2-3-5-14(12)18(19,20)21/h2-5,8-9,15H,6-7,10H2,1H3,(H,22,24).
What are the key properties of 3-methyl-5-[2-[2-(trifluoromethyl)phenyl]morpholine-4-carbonyl]-1H-pyridin-4-one?
3-methyl-5-[2-[2-(trifluoromethyl)phenyl]morpholine-4-carbonyl]-1H-pyridin-4-one has a molecular weight of 366.34 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-[2-(trifluoromethyl)phenyl]morpholine-4-carbonyl]-1H-pyridin-4-one is sourced from PubChem (CID 136522206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).