1-(3-fluorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidine-2,5-dione

C23H24FN3O2 — CID 5293909

IUPAC1-(3-fluorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCN(C/C=C/c3ccccc3)CC2)C(=O)N1c1cccc(F)c1
InChIInChI=1S/C23H24FN3O2/c24-19-9-4-10-20(16-19)27-22(28)17-21(23(27)29)26-14-12-25(13-15-26)11-5-8-18-6-2-1-3-7-18/h1-10,16,21H,11-15,17H2/b8-5+
InChIKeyMRNOCDDCSWDWNS-VMPITWQZSA-N
MW393.46 g/mol
LogP2.79
Rot. Bonds5

About 1-(3-fluorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidine-2,5-dione

1-(3-fluorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidine-2,5-dione (PubChem CID 5293909) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidine-2,5-dione
PubChem CID5293909
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name1-(3-fluorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCN(C/C=C/c3ccccc3)CC2)C(=O)N1c1cccc(F)c1
InChIInChI=1S/C23H24FN3O2/c24-19-9-4-10-20(16-19)27-22(28)17-21(23(27)29)26-14-12-25(13-15-26)11-5-8-18-6-2-1-3-7-18/h1-10,16,21H,11-15,17H2/b8-5+
InChIKeyMRNOCDDCSWDWNS-VMPITWQZSA-N
XLogP2.79
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 52.79
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 1-(3-fluorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-(3-fluorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidine-2,5-dione (CID 5293909) is 1-(3-fluorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-fluorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidine-2,5-dione is O=C1CC(N2CCN(C/C=C/c3ccccc3)CC2)C(=O)N1c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is MRNOCDDCSWDWNS-VMPITWQZSA-N. The full InChI is InChI=1S/C23H24FN3O2/c24-19-9-4-10-20(16-19)27-22(28)17-21(23(27)29)26-14-12-25(13-15-26)11-5-8-18-6-2-1-3-7-18/h1-10,16,21H,11-15,17H2/b8-5+.
What are the key properties of 1-(3-fluorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidine-2,5-dione?
1-(3-fluorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 393.46 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 5293909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).