(3R)-1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3-phenylpiperidin-2-one

C21H21FN2O2 — CID 45274612

IUPAC(3R)-1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3-phenylpiperidin-2-one
SMILESO=C(CN1CCC[C@H](c2ccccc2)C1=O)N1Cc2ccc(F)cc2C1
InChIInChI=1S/C21H21FN2O2/c22-18-9-8-16-12-24(13-17(16)11-18)20(25)14-23-10-4-7-19(21(23)26)15-5-2-1-3-6-15/h1-3,5-6,8-9,11,19H,4,7,10,12-14H2/t19-/m1/s1
InChIKeyKFCPRPURBXFPQH-LJQANCHMSA-N
MW352.41 g/mol
LogP3.07
Rot. Bonds3

About (3R)-1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3-phenylpiperidin-2-one

(3R)-1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3-phenylpiperidin-2-one (PubChem CID 45274612) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is (3R)-1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3-phenylpiperidin-2-one.

Molecular Properties

Compound Name(3R)-1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3-phenylpiperidin-2-one
PubChem CID45274612
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC Name(3R)-1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3-phenylpiperidin-2-one
SMILESO=C(CN1CCC[C@H](c2ccccc2)C1=O)N1Cc2ccc(F)cc2C1
InChIInChI=1S/C21H21FN2O2/c22-18-9-8-16-12-24(13-17(16)11-18)20(25)14-23-10-4-7-19(21(23)26)15-5-2-1-3-6-15/h1-3,5-6,8-9,11,19H,4,7,10,12-14H2/t19-/m1/s1
InChIKeyKFCPRPURBXFPQH-LJQANCHMSA-N
XLogP3.07
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-((1-(2-(4-Fluorophenyl)-2-oxoethyl)-4-piperidinyl)methyl)-2,3-dihydro-1H-isoindol-1-one
CID 9799284
(2R)-2-(2,4-difluorophenyl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-ylacetamide
CID 6918854
(2S)-2-Amino-2-cyclohexyl-1-(1,3-dihydro-2H-isoindol-2-YL)ethanone
CID 17751406
(2R)-2-(2,4-difluorophenyl)-2-[(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-isobutyl-2,5-dioxopiperazin-1-yl]-N,N-dimethylethanamide
CID 11465834
(2R)-2-(2,4-difluorophenyl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetamide
CID 11590596
(2R)-2-(2,4-difluorophenyl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-methylacetamide
CID 11662784
(3S,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluoro-2-methylphenyl)-N-methyl-1-oxamoylpiperidine-4-carboxamide
CID 57391771
1-[(1S)-1-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 10069687
2-(2-(4-Benzylpiperazin-1-yl)ethyl)isoindoline-1,3-dione
CID 2823237
2-(2-(4-Phenyl-5,6-dihydropyridin-1(2H)-yl)ethyl)isoindoline-1,3-dione
CID 8554729
2-(2-(1-Benzylpiperidin-4-yl)ethyl)isoindolin-1-one
CID 9974154
(2R)-2-(4-fluorophenyl)-2-[(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-isobutyl-2,5-dioxopiperazin-1-yl]-N-isopropylethanamide
CID 11569194

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3-phenylpiperidin-2-one?
The IUPAC name of (3R)-1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3-phenylpiperidin-2-one (CID 45274612) is (3R)-1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3-phenylpiperidin-2-one.
What is the SMILES notation for (3R)-1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3-phenylpiperidin-2-one?
The canonical SMILES for (3R)-1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3-phenylpiperidin-2-one is O=C(CN1CCC[C@H](c2ccccc2)C1=O)N1Cc2ccc(F)cc2C1.
What is the InChIKey of (3R)-1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3-phenylpiperidin-2-one?
The InChIKey is KFCPRPURBXFPQH-LJQANCHMSA-N. The full InChI is InChI=1S/C21H21FN2O2/c22-18-9-8-16-12-24(13-17(16)11-18)20(25)14-23-10-4-7-19(21(23)26)15-5-2-1-3-6-15/h1-3,5-6,8-9,11,19H,4,7,10,12-14H2/t19-/m1/s1.
What are the key properties of (3R)-1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3-phenylpiperidin-2-one?
(3R)-1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3-phenylpiperidin-2-one has a molecular weight of 352.41 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3-phenylpiperidin-2-one is sourced from PubChem (CID 45274612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).