1-[(1S,2R)-2-(3,4-difluorophenyl)-1-(4-fluorophenyl)-2-methoxyethyl]piperidin-2-one

C20H20F3NO2 — CID 59552013

IUPAC1-[(1S,2R)-2-(3,4-difluorophenyl)-1-(4-fluorophenyl)-2-methoxyethyl]piperidin-2-one
SMILESCO[C@H](c1ccc(F)c(F)c1)[C@H](c1ccc(F)cc1)N1CCCCC1=O
InChIInChI=1S/C20H20F3NO2/c1-26-20(14-7-10-16(22)17(23)12-14)19(13-5-8-15(21)9-6-13)24-11-3-2-4-18(24)25/h5-10,12,19-20H,2-4,11H2,1H3/t19-,20+/m0/s1
InChIKeyYQXHLQCAHDDLFG-VQTJNVASSA-N
MW363.38 g/mol
LogP4.55
Rot. Bonds5

About 1-[(1S,2R)-2-(3,4-difluorophenyl)-1-(4-fluorophenyl)-2-methoxyethyl]piperidin-2-one

1-[(1S,2R)-2-(3,4-difluorophenyl)-1-(4-fluorophenyl)-2-methoxyethyl]piperidin-2-one (PubChem CID 59552013) has the molecular formula C20H20F3NO2 and a molecular weight of 363.38 g/mol. Its IUPAC name is 1-[(1S,2R)-2-(3,4-difluorophenyl)-1-(4-fluorophenyl)-2-methoxyethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[(1S,2R)-2-(3,4-difluorophenyl)-1-(4-fluorophenyl)-2-methoxyethyl]piperidin-2-one
PubChem CID59552013
Molecular FormulaC20H20F3NO2
Molecular Weight363.38 g/mol
Exact Mass363.14
IUPAC Name1-[(1S,2R)-2-(3,4-difluorophenyl)-1-(4-fluorophenyl)-2-methoxyethyl]piperidin-2-one
SMILESCO[C@H](c1ccc(F)c(F)c1)[C@H](c1ccc(F)cc1)N1CCCCC1=O
InChIInChI=1S/C20H20F3NO2/c1-26-20(14-7-10-16(22)17(23)12-14)19(13-5-8-15(21)9-6-13)24-11-3-2-4-18(24)25/h5-10,12,19-20H,2-4,11H2,1H3/t19-,20+/m0/s1
InChIKeyYQXHLQCAHDDLFG-VQTJNVASSA-N
XLogP4.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(1S,2R)-2-(3,4-difluorophenyl)-1-(4-fluorophenyl)-2-methoxyethyl]piperidin-2-one with MolForge

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Related Compounds

N-benzyl-2-[(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]-N-methylacetamide
CID 44346438
1,1-Dimethylethyl (2S,3R)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate
CID 981225
tert-butyl (2R,3S)-6-oxo-2,3-diphenylmorpholine-4-carboxylate
CID 981230
tert-Butyl 6-oxo-2,3-diphenyl-4-morpholinecarboxylate
CID 4533742
2-[(2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-phenyl-piperidin-1-yl]-N,N-dimethyl-acetamide
CID 11755227
3-(3,5-Bis-trifluoromethyl-benzyloxy)-1-methyl-2-phenyl-piperidine
CID 44276728
1-[(2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-phenyl-piperidin-1-yl]-ethanone
CID 44307089
[(2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-phenyl-piperidin-1-yl]-oxo-acetic acid methyl ester
CID 44307137
1-[(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanone
CID 11793580
1-{3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bicyclo[3.2.1]oct-8-yl}-ethanone
CID 44357390
(6S)-4-[(2R)-2-methoxy-2-phenylacetyl]-6-(2-phenylethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-one
CID 122600932
2-[(2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-phenyl-piperidin-1-yl]-2-oxo-acetamide
CID 44307118

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-(3,4-difluorophenyl)-1-(4-fluorophenyl)-2-methoxyethyl]piperidin-2-one?
The IUPAC name of 1-[(1S,2R)-2-(3,4-difluorophenyl)-1-(4-fluorophenyl)-2-methoxyethyl]piperidin-2-one (CID 59552013) is 1-[(1S,2R)-2-(3,4-difluorophenyl)-1-(4-fluorophenyl)-2-methoxyethyl]piperidin-2-one.
What is the SMILES notation for 1-[(1S,2R)-2-(3,4-difluorophenyl)-1-(4-fluorophenyl)-2-methoxyethyl]piperidin-2-one?
The canonical SMILES for 1-[(1S,2R)-2-(3,4-difluorophenyl)-1-(4-fluorophenyl)-2-methoxyethyl]piperidin-2-one is CO[C@H](c1ccc(F)c(F)c1)[C@H](c1ccc(F)cc1)N1CCCCC1=O.
What is the InChIKey of 1-[(1S,2R)-2-(3,4-difluorophenyl)-1-(4-fluorophenyl)-2-methoxyethyl]piperidin-2-one?
The InChIKey is YQXHLQCAHDDLFG-VQTJNVASSA-N. The full InChI is InChI=1S/C20H20F3NO2/c1-26-20(14-7-10-16(22)17(23)12-14)19(13-5-8-15(21)9-6-13)24-11-3-2-4-18(24)25/h5-10,12,19-20H,2-4,11H2,1H3/t19-,20+/m0/s1.
What are the key properties of 1-[(1S,2R)-2-(3,4-difluorophenyl)-1-(4-fluorophenyl)-2-methoxyethyl]piperidin-2-one?
1-[(1S,2R)-2-(3,4-difluorophenyl)-1-(4-fluorophenyl)-2-methoxyethyl]piperidin-2-one has a molecular weight of 363.38 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-(3,4-difluorophenyl)-1-(4-fluorophenyl)-2-methoxyethyl]piperidin-2-one is sourced from PubChem (CID 59552013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).