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

C19H23F3N2O3 — CID 45239161

IUPAC1-[3-oxo-3-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCC(=O)N1CCOC(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C19H23F3N2O3/c20-19(21,22)15-4-1-3-14(11-15)12-16-13-24(9-10-27-16)18(26)6-8-23-7-2-5-17(23)25/h1,3-4,11,16H,2,5-10,12-13H2
InChIKeyJEDOELXRVFVXHH-UHFFFAOYSA-N
MW384.40 g/mol
LogP2.49
Rot. Bonds5

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

1-[3-oxo-3-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]propyl]pyrrolidin-2-one (PubChem CID 45239161) has the molecular formula C19H23F3N2O3 and a molecular weight of 384.40 g/mol. Its IUPAC name is 1-[3-oxo-3-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-oxo-3-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]propyl]pyrrolidin-2-one
PubChem CID45239161
Molecular FormulaC19H23F3N2O3
Molecular Weight384.40 g/mol
Exact Mass384.17
IUPAC Name1-[3-oxo-3-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCC(=O)N1CCOC(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C19H23F3N2O3/c20-19(21,22)15-4-1-3-14(11-15)12-16-13-24(9-10-27-16)18(26)6-8-23-7-2-5-17(23)25/h1,3-4,11,16H,2,5-10,12-13H2
InChIKeyJEDOELXRVFVXHH-UHFFFAOYSA-N
XLogP2.49
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-oxo-3-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]propyl]pyrrolidin-2-one with MolForge

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Related Compounds

4-Methyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one
CID 10730942
4-(1-Pyrrolidinylsulfonyl)-2-[3-(trifluoromethyl)benzyl]morpholine
CID 45170539
Methyl 4-oxo-4-{2-[3-(trifluoromethyl)benzyl]-4-morpholinyl}butanoate
CID 45230667
4-Acetyl-2-[3-(trifluoromethyl)benzyl]morpholine
CID 50951362
3-({2-[3-(Trifluoromethyl)benzyl]-4-morpholinyl}carbonyl)-2-pyridinol
CID 56876994
1-(2-Oxo-2-{2-[3-(trifluoromethyl)benzyl]-4-morpholinyl}ethyl)-2-pyrrolidinone
CID 45174730
4-[2-(3-Fluorobenzyl)-4-morpholinyl]-4-oxobutanamide
CID 45185870
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-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-4,4,4-trifluorobutan-1-one
CID 42214871

Frequently Asked Questions

What is the IUPAC name of 1-[3-oxo-3-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-oxo-3-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]propyl]pyrrolidin-2-one (CID 45239161) is 1-[3-oxo-3-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-oxo-3-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-oxo-3-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]propyl]pyrrolidin-2-one is O=C1CCCN1CCC(=O)N1CCOC(Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 1-[3-oxo-3-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]propyl]pyrrolidin-2-one?
The InChIKey is JEDOELXRVFVXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O3/c20-19(21,22)15-4-1-3-14(11-15)12-16-13-24(9-10-27-16)18(26)6-8-23-7-2-5-17(23)25/h1,3-4,11,16H,2,5-10,12-13H2.
What are the key properties of 1-[3-oxo-3-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]propyl]pyrrolidin-2-one?
1-[3-oxo-3-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]propyl]pyrrolidin-2-one has a molecular weight of 384.40 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-oxo-3-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]propyl]pyrrolidin-2-one is sourced from PubChem (CID 45239161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).