1-[2-oxo-2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethyl]pyrrolidin-2-one

C18H21F3N2O3 — CID 45174730

IUPAC1-[2-oxo-2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(=O)N1CCOC(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C18H21F3N2O3/c19-18(20,21)14-4-1-3-13(9-14)10-15-11-23(7-8-26-15)17(25)12-22-6-2-5-16(22)24/h1,3-4,9,15H,2,5-8,10-12H2
InChIKeyASKFPHFHPYWTPY-UHFFFAOYSA-N
MW370.37 g/mol
LogP2.10
Rot. Bonds4

About 1-[2-oxo-2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethyl]pyrrolidin-2-one

1-[2-oxo-2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethyl]pyrrolidin-2-one (PubChem CID 45174730) has the molecular formula C18H21F3N2O3 and a molecular weight of 370.37 g/mol. Its IUPAC name is 1-[2-oxo-2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-oxo-2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethyl]pyrrolidin-2-one
PubChem CID45174730
Molecular FormulaC18H21F3N2O3
Molecular Weight370.37 g/mol
Exact Mass370.15
IUPAC Name1-[2-oxo-2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(=O)N1CCOC(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C18H21F3N2O3/c19-18(20,21)14-4-1-3-13(9-14)10-15-11-23(7-8-26-15)17(25)12-22-6-2-5-16(22)24/h1,3-4,9,15H,2,5-8,10-12H2
InChIKeyASKFPHFHPYWTPY-UHFFFAOYSA-N
XLogP2.10
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one
CID 10730942
Methyl 4-oxo-4-{2-[3-(trifluoromethyl)benzyl]-4-morpholinyl}butanoate
CID 45230667
4-Acetyl-2-[3-(trifluoromethyl)benzyl]morpholine
CID 50951362
1-(2-Oxo-2-(2-(4-(trifluoromethyl)phenyl)morpholino)ethyl)pyrrolidine-2,5-dione
CID 56763875
2-{2-[3-(Trifluoromethyl)benzyl]-4-morpholinyl}acetamide
CID 56872369
1-(2-Oxo-2-{2-[3-(trifluoromethyl)benzyl]-4-morpholinyl}ethyl)-2-piperidinone
CID 45206577
1-[4-[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]-4-oxobutyl]pyrrolidin-2-one
CID 25365144
1-[3-oxo-3-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]propyl]pyrrolidin-2-one
CID 25382885
1-[2-oxo-2-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]ethyl]pyrrolidin-2-one
CID 26315164
1-[2-oxo-2-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]ethyl]piperidin-2-one
CID 26328595
1-[2-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one
CID 26329319
3-[2-Oxo-2-(3-{2-[3-(trifluoromethyl)phenyl]ethyl}-1-piperidinyl)ethyl]-1,3-oxazolidin-2-one
CID 45173930

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-oxo-2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethyl]pyrrolidin-2-one (CID 45174730) is 1-[2-oxo-2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-oxo-2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-oxo-2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethyl]pyrrolidin-2-one is O=C1CCCN1CC(=O)N1CCOC(Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 1-[2-oxo-2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethyl]pyrrolidin-2-one?
The InChIKey is ASKFPHFHPYWTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O3/c19-18(20,21)14-4-1-3-13(9-14)10-15-11-23(7-8-26-15)17(25)12-22-6-2-5-16(22)24/h1,3-4,9,15H,2,5-8,10-12H2.
What are the key properties of 1-[2-oxo-2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethyl]pyrrolidin-2-one?
1-[2-oxo-2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethyl]pyrrolidin-2-one has a molecular weight of 370.37 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 45174730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).