3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione

C20H20FN3O2 — CID 2833555

IUPAC3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(N2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccccc1
InChIInChI=1S/C20H20FN3O2/c21-15-6-8-16(9-7-15)22-10-12-23(13-11-22)18-14-19(25)24(20(18)26)17-4-2-1-3-5-17/h1-9,18H,10-14H2
InChIKeySIKRQHPHJUJQQN-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.28
Rot. Bonds3

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

3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione (PubChem CID 2833555) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione
PubChem CID2833555
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(N2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccccc1
InChIInChI=1S/C20H20FN3O2/c21-15-6-8-16(9-7-15)22-10-12-23(13-11-22)18-14-19(25)24(20(18)26)17-4-2-1-3-5-17/h1-9,18H,10-14H2
InChIKeySIKRQHPHJUJQQN-UHFFFAOYSA-N
XLogP2.28
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.28
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 3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione (CID 2833555) is 3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione is O=C1CC(N2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccccc1.
What is the InChIKey of 3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione?
The InChIKey is SIKRQHPHJUJQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c21-15-6-8-16(9-7-15)22-10-12-23(13-11-22)18-14-19(25)24(20(18)26)17-4-2-1-3-5-17/h1-9,18H,10-14H2.
What are the key properties of 3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione?
3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione has a molecular weight of 353.40 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 2833555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).