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

C22H21FN2O3 — CID 10385105

IUPAC2-[[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]methyl]isoindole-1,3-dione
SMILESO=C(CN1CCC(CN2C(=O)c3ccccc3C2=O)CC1)c1ccc(F)cc1
InChIInChI=1S/C22H21FN2O3/c23-17-7-5-16(6-8-17)20(26)14-24-11-9-15(10-12-24)13-25-21(27)18-3-1-2-4-19(18)22(25)28/h1-8,15H,9-14H2
InChIKeyVJVIROQUBYKYGK-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.02
Rot. Bonds5

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

2-[[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]methyl]isoindole-1,3-dione (PubChem CID 10385105) has the molecular formula C22H21FN2O3 and a molecular weight of 380.42 g/mol. Its IUPAC name is 2-[[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]methyl]isoindole-1,3-dione
PubChem CID10385105
Molecular FormulaC22H21FN2O3
Molecular Weight380.42 g/mol
Exact Mass380.15
IUPAC Name2-[[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]methyl]isoindole-1,3-dione
SMILESO=C(CN1CCC(CN2C(=O)c3ccccc3C2=O)CC1)c1ccc(F)cc1
InChIInChI=1S/C22H21FN2O3/c23-17-7-5-16(6-8-17)20(26)14-24-11-9-15(10-12-24)13-25-21(27)18-3-1-2-4-19(18)22(25)28/h1-8,15H,9-14H2
InChIKeyVJVIROQUBYKYGK-UHFFFAOYSA-N
XLogP3.02
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]methyl]isoindole-1,3-dione (CID 10385105) is 2-[[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]methyl]isoindole-1,3-dione is O=C(CN1CCC(CN2C(=O)c3ccccc3C2=O)CC1)c1ccc(F)cc1.
What is the InChIKey of 2-[[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]methyl]isoindole-1,3-dione?
The InChIKey is VJVIROQUBYKYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3/c23-17-7-5-16(6-8-17)20(26)14-24-11-9-15(10-12-24)13-25-21(27)18-3-1-2-4-19(18)22(25)28/h1-8,15H,9-14H2.
What are the key properties of 2-[[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]methyl]isoindole-1,3-dione?
2-[[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]methyl]isoindole-1,3-dione has a molecular weight of 380.42 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 10385105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).