3-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-propan-2-ylpyrrole-2,5-dione

C24H26FN3O3 — CID 110544530

IUPAC3-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-propan-2-ylpyrrole-2,5-dione
SMILESCOc1ccccc1N1CCN(C2=C(c3ccc(F)cc3)C(=O)N(C(C)C)C2=O)CC1
InChIInChI=1S/C24H26FN3O3/c1-16(2)28-23(29)21(17-8-10-18(25)11-9-17)22(24(28)30)27-14-12-26(13-15-27)19-6-4-5-7-20(19)31-3/h4-11,16H,12-15H2,1-3H3
InChIKeyXARHWHXFMIRYTF-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.14
Rot. Bonds5

About 3-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-propan-2-ylpyrrole-2,5-dione

3-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-propan-2-ylpyrrole-2,5-dione (PubChem CID 110544530) has the molecular formula C24H26FN3O3 and a molecular weight of 423.49 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-propan-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-propan-2-ylpyrrole-2,5-dione
PubChem CID110544530
Molecular FormulaC24H26FN3O3
Molecular Weight423.49 g/mol
Exact Mass423.20
IUPAC Name3-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-propan-2-ylpyrrole-2,5-dione
SMILESCOc1ccccc1N1CCN(C2=C(c3ccc(F)cc3)C(=O)N(C(C)C)C2=O)CC1
InChIInChI=1S/C24H26FN3O3/c1-16(2)28-23(29)21(17-8-10-18(25)11-9-17)22(24(28)30)27-14-12-26(13-15-27)19-6-4-5-7-20(19)31-3/h4-11,16H,12-15H2,1-3H3
InChIKeyXARHWHXFMIRYTF-UHFFFAOYSA-N
XLogP3.14
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluorophenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]-1-propan-2-ylpyrrole-2,5-dione
CID 110544525
3-(4-fluorophenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1-propan-2-ylpyrrole-2,5-dione
CID 110544529
3-(4-ethoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrrole-2,5-dione
CID 110546666
3-(3,4-dimethylphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrrole-2,5-dione
CID 110548940
3-(4-phenylpiperazin-1-yl)-1-propan-2-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575696
1-butyl-3-(4-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrrole-2,5-dione
CID 110556246
3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)-1-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110545592
3-phenyl-1-propan-2-yl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
CID 110560331
3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(3-methylphenyl)-4-phenylpyrrole-2,5-dione
CID 110561263
3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(3,4-dimethoxyphenyl)-1-propan-2-ylpyrrole-2,5-dione
CID 110564615
3-[4-(2-methoxyphenyl)piperazin-1-yl]-4-(4-nitrophenyl)-1-propylpyrrole-2,5-dione
CID 110541318
1-[(2S)-1-(4-fluorophenyl)propan-2-yl]-4-(2-methoxyphenyl)piperazine
CID 40514838

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-propan-2-ylpyrrole-2,5-dione?
The IUPAC name of 3-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-propan-2-ylpyrrole-2,5-dione (CID 110544530) is 3-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-propan-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-propan-2-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-propan-2-ylpyrrole-2,5-dione is COc1ccccc1N1CCN(C2=C(c3ccc(F)cc3)C(=O)N(C(C)C)C2=O)CC1.
What is the InChIKey of 3-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-propan-2-ylpyrrole-2,5-dione?
The InChIKey is XARHWHXFMIRYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O3/c1-16(2)28-23(29)21(17-8-10-18(25)11-9-17)22(24(28)30)27-14-12-26(13-15-27)19-6-4-5-7-20(19)31-3/h4-11,16H,12-15H2,1-3H3.
What are the key properties of 3-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-propan-2-ylpyrrole-2,5-dione?
3-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-propan-2-ylpyrrole-2,5-dione has a molecular weight of 423.49 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-propan-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 110544530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).