2-[4-[(4-fluoro-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]-1-(4-fluorophenyl)ethanone

C22H24F2N2O — CID 118607492

IUPAC2-[4-[(4-fluoro-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]-1-(4-fluorophenyl)ethanone
SMILESO=C(CN1CCC(CN2Cc3cccc(F)c3C2)CC1)c1ccc(F)cc1
InChIInChI=1S/C22H24F2N2O/c23-19-6-4-17(5-7-19)22(27)15-25-10-8-16(9-11-25)12-26-13-18-2-1-3-21(24)20(18)14-26/h1-7,16H,8-15H2
InChIKeyKRGFPLVTKKLRLL-UHFFFAOYSA-N
MW370.44 g/mol
LogP3.88
Rot. Bonds5

About 2-[4-[(4-fluoro-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]-1-(4-fluorophenyl)ethanone

2-[4-[(4-fluoro-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]-1-(4-fluorophenyl)ethanone (PubChem CID 118607492) has the molecular formula C22H24F2N2O and a molecular weight of 370.44 g/mol. Its IUPAC name is 2-[4-[(4-fluoro-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[4-[(4-fluoro-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]-1-(4-fluorophenyl)ethanone
PubChem CID118607492
Molecular FormulaC22H24F2N2O
Molecular Weight370.44 g/mol
Exact Mass370.19
IUPAC Name2-[4-[(4-fluoro-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]-1-(4-fluorophenyl)ethanone
SMILESO=C(CN1CCC(CN2Cc3cccc(F)c3C2)CC1)c1ccc(F)cc1
InChIInChI=1S/C22H24F2N2O/c23-19-6-4-17(5-7-19)22(27)15-25-10-8-16(9-11-25)12-26-13-18-2-1-3-21(24)20(18)14-26/h1-7,16H,8-15H2
InChIKeyKRGFPLVTKKLRLL-UHFFFAOYSA-N
XLogP3.88
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-[(4-fluoro-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]-1-(4-fluorophenyl)ethanone with MolForge

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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
2-[2-(4-fluorophenyl)-2-oxoethyl]-1H-isoindole-1,3(2H)-dione
CID 2815202
1-Benzyl-4-(4-oxo-4-phenylbutyl)piperidine Hydrochloride
CID 14553361
2-(2-oxo-2-phenylethyl)-1H-isoindole-1,3(2H)-dione
CID 243038
4-(3,4-dihydroisoquinolin-2(1H)-yl)-1-(4-fluorophenyl)butan-1-one
CID 27620
[(3S,4S)-3-phenyl-4-[(4-phenyl-1-piperidyl)methyl]pyrrolidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 489814
2-(1-Benzyl-piperidin-4-ylmethyl)-indan-1-one; hydrochloride
CID 9797115
2-[(1-Benzylpiperidin-4-yl)methyl]-2,3-dihydroinden-1-one;hydrochloride
CID 9928611
2-(2-(1-Benzylpiperidin-4-yl)ethyl)isoindolin-1-one
CID 9974154
2-[2-(1-Benzylpiperidin-4-yl)ethyl]-2,3-dihydroinden-1-one;hydrochloride
CID 10109683
(1-Benzyl-piperidin-4-yl)-(4-fluoro-phenyl)-methanone
CID 11779386
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-fluoro-2,3-dihydroinden-1-one
CID 134155116

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluoro-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-[4-[(4-fluoro-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]-1-(4-fluorophenyl)ethanone (CID 118607492) is 2-[4-[(4-fluoro-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-[4-[(4-fluoro-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-[4-[(4-fluoro-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]-1-(4-fluorophenyl)ethanone is O=C(CN1CCC(CN2Cc3cccc(F)c3C2)CC1)c1ccc(F)cc1.
What is the InChIKey of 2-[4-[(4-fluoro-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]-1-(4-fluorophenyl)ethanone?
The InChIKey is KRGFPLVTKKLRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O/c23-19-6-4-17(5-7-19)22(27)15-25-10-8-16(9-11-25)12-26-13-18-2-1-3-21(24)20(18)14-26/h1-7,16H,8-15H2.
What are the key properties of 2-[4-[(4-fluoro-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]-1-(4-fluorophenyl)ethanone?
2-[4-[(4-fluoro-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]-1-(4-fluorophenyl)ethanone has a molecular weight of 370.44 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluoro-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 118607492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).