2-methyl-1-[2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]propan-1-one

C21H23F3N2O2 — CID 127249939

IUPAC2-methyl-1-[2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]propan-1-one
SMILESCC(C)C(=O)N1CCOC(c2cccc(Cc3ccccc3C(F)(F)F)n2)C1
InChIInChI=1S/C21H23F3N2O2/c1-14(2)20(27)26-10-11-28-19(13-26)18-9-5-7-16(25-18)12-15-6-3-4-8-17(15)21(22,23)24/h3-9,14,19H,10-13H2,1-2H3
InChIKeyIFFAFOQGKZVDEH-UHFFFAOYSA-N
MW392.42 g/mol
LogP4.25
Rot. Bonds4

About 2-methyl-1-[2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]propan-1-one

2-methyl-1-[2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]propan-1-one (PubChem CID 127249939) has the molecular formula C21H23F3N2O2 and a molecular weight of 392.42 g/mol. Its IUPAC name is 2-methyl-1-[2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]propan-1-one
PubChem CID127249939
Molecular FormulaC21H23F3N2O2
Molecular Weight392.42 g/mol
Exact Mass392.17
IUPAC Name2-methyl-1-[2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]propan-1-one
SMILESCC(C)C(=O)N1CCOC(c2cccc(Cc3ccccc3C(F)(F)F)n2)C1
InChIInChI=1S/C21H23F3N2O2/c1-14(2)20(27)26-10-11-28-19(13-26)18-9-5-7-16(25-18)12-15-6-3-4-8-17(15)21(22,23)24/h3-9,14,19H,10-13H2,1-2H3
InChIKeyIFFAFOQGKZVDEH-UHFFFAOYSA-N
XLogP4.25
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-[2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]propan-1-one with MolForge

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Related Compounds

2-phenyl-1-[(2S)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]ethanone
CID 125005496
(2S)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholine
CID 95970007
(2R)-4-(pyridin-3-ylmethyl)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholine
CID 125008958
[(2R)-2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-phenylmethanone
CID 124990500
N-[2-[(2S)-2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]acetamide
CID 125007892
1-[(2S)-2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 124951977
[(2R)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-phenylmethanone
CID 124976913
2-(3,5-dimethylpyrazol-1-yl)-1-[2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone
CID 127250000
[(2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 125007104
2-methyl-1-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propan-1-one
CID 50976131
N-[2-[6-(4-acetylmorpholin-2-yl)-2-pyridinyl]ethyl]-2-chloroacetamide
CID 175654933
3-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]-2-methylpropan-1-one
CID 110414688

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]propan-1-one (CID 127249939) is 2-methyl-1-[2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]propan-1-one is CC(C)C(=O)N1CCOC(c2cccc(Cc3ccccc3C(F)(F)F)n2)C1.
What is the InChIKey of 2-methyl-1-[2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]propan-1-one?
The InChIKey is IFFAFOQGKZVDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O2/c1-14(2)20(27)26-10-11-28-19(13-26)18-9-5-7-16(25-18)12-15-6-3-4-8-17(15)21(22,23)24/h3-9,14,19H,10-13H2,1-2H3.
What are the key properties of 2-methyl-1-[2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]propan-1-one?
2-methyl-1-[2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]propan-1-one has a molecular weight of 392.42 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]propan-1-one is sourced from PubChem (CID 127249939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).