2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]isoindole-1,3-dione

C21H19FN2O3 — CID 113082538

IUPAC2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]isoindole-1,3-dione
SMILESO=C(Cc1ccccc1F)N1CCC(N2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C21H19FN2O3/c22-18-8-4-1-5-14(18)13-19(25)23-11-9-15(10-12-23)24-20(26)16-6-2-3-7-17(16)21(24)27/h1-8,15H,9-13H2
InChIKeyFUNHFKYKGRZNLW-UHFFFAOYSA-N
MW366.39 g/mol
LogP2.66
Rot. Bonds3

About 2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]isoindole-1,3-dione

2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]isoindole-1,3-dione (PubChem CID 113082538) has the molecular formula C21H19FN2O3 and a molecular weight of 366.39 g/mol. Its IUPAC name is 2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]isoindole-1,3-dione
PubChem CID113082538
Molecular FormulaC21H19FN2O3
Molecular Weight366.39 g/mol
Exact Mass366.14
IUPAC Name2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]isoindole-1,3-dione
SMILESO=C(Cc1ccccc1F)N1CCC(N2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C21H19FN2O3/c22-18-8-4-1-5-14(18)13-19(25)23-11-9-15(10-12-23)24-20(26)16-6-2-3-7-17(16)21(24)27/h1-8,15H,9-13H2
InChIKeyFUNHFKYKGRZNLW-UHFFFAOYSA-N
XLogP2.66
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]isoindole-1,3-dione
CID 113082521
1-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]propan-1-one
CID 112536906
1-(4-cyclohexylpiperazin-1-yl)-2-(2-fluorophenyl)ethanone
CID 113073065
2-(2-fluorophenyl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone
CID 120996651
2-(2-fluorophenyl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanone
CID 173160749
2-(2-fluorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119260723
2-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]isoindole-1,3-dione
CID 113082526
2-(1-propanoylpyrrolidin-3-yl)isoindole-1,3-dione
CID 113082746
2-[1-(2-ethylbutanoyl)piperidin-4-yl]isoindole-1,3-dione
CID 113082500
1-(4-amino-3-methylpiperidin-1-yl)-2-(2-fluorophenyl)ethanone;hydrochloride
CID 119260930
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(2-fluorophenyl)ethanone;hydrochloride
CID 119261261
1-[4-(azepan-1-yl)piperidin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 110667113

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]isoindole-1,3-dione?
The IUPAC name of 2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]isoindole-1,3-dione (CID 113082538) is 2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]isoindole-1,3-dione is O=C(Cc1ccccc1F)N1CCC(N2C(=O)c3ccccc3C2=O)CC1.
What is the InChIKey of 2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]isoindole-1,3-dione?
The InChIKey is FUNHFKYKGRZNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3/c22-18-8-4-1-5-14(18)13-19(25)23-11-9-15(10-12-23)24-20(26)16-6-2-3-7-17(16)21(24)27/h1-8,15H,9-13H2.
What are the key properties of 2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]isoindole-1,3-dione?
2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]isoindole-1,3-dione has a molecular weight of 366.39 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]isoindole-1,3-dione is sourced from PubChem (CID 113082538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).