3-[4-(4-fluorophenyl)piperazin-1-yl]-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2,5-dione

C25H27FN4O3 — CID 2950867

IUPAC3-[4-(4-fluorophenyl)piperazin-1-yl]-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCN(c3ccc(F)cc3)CC2)C(=O)N1Cc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C25H27FN4O3/c26-19-5-9-20(10-6-19)27-12-14-28(15-13-27)22-16-24(32)30(25(22)33)17-18-3-7-21(8-4-18)29-11-1-2-23(29)31/h3-10,22H,1-2,11-17H2
InChIKeyDEXPSLKLBGYAIY-UHFFFAOYSA-N
MW450.51 g/mol
LogP2.40
Rot. Bonds5

About 3-[4-(4-fluorophenyl)piperazin-1-yl]-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2,5-dione

3-[4-(4-fluorophenyl)piperazin-1-yl]-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2,5-dione (PubChem CID 2950867) has the molecular formula C25H27FN4O3 and a molecular weight of 450.51 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)piperazin-1-yl]-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)piperazin-1-yl]-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2,5-dione
PubChem CID2950867
Molecular FormulaC25H27FN4O3
Molecular Weight450.51 g/mol
Exact Mass450.21
IUPAC Name3-[4-(4-fluorophenyl)piperazin-1-yl]-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCN(c3ccc(F)cc3)CC2)C(=O)N1Cc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C25H27FN4O3/c26-19-5-9-20(10-6-19)27-12-14-28(15-13-27)22-16-24(32)30(25(22)33)17-18-3-7-21(8-4-18)29-11-1-2-23(29)31/h3-10,22H,1-2,11-17H2
InChIKeyDEXPSLKLBGYAIY-UHFFFAOYSA-N
XLogP2.40
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-[4-(4-fluorophenyl)piperazin-1-yl]-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2,5-dione (CID 2950867) is 3-[4-(4-fluorophenyl)piperazin-1-yl]-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[4-(4-fluorophenyl)piperazin-1-yl]-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[4-(4-fluorophenyl)piperazin-1-yl]-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2,5-dione is O=C1CC(N2CCN(c3ccc(F)cc3)CC2)C(=O)N1Cc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 3-[4-(4-fluorophenyl)piperazin-1-yl]-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2,5-dione?
The InChIKey is DEXPSLKLBGYAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O3/c26-19-5-9-20(10-6-19)27-12-14-28(15-13-27)22-16-24(32)30(25(22)33)17-18-3-7-21(8-4-18)29-11-1-2-23(29)31/h3-10,22H,1-2,11-17H2.
What are the key properties of 3-[4-(4-fluorophenyl)piperazin-1-yl]-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2,5-dione?
3-[4-(4-fluorophenyl)piperazin-1-yl]-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2,5-dione has a molecular weight of 450.51 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)piperazin-1-yl]-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 2950867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).