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

C23H24BrN3O2 — CID 5285474

IUPAC1-(4-bromophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCN(C/C=C/c3ccccc3)CC2)C(=O)N1c1ccc(Br)cc1
InChIInChI=1S/C23H24BrN3O2/c24-19-8-10-20(11-9-19)27-22(28)17-21(23(27)29)26-15-13-25(14-16-26)12-4-7-18-5-2-1-3-6-18/h1-11,21H,12-17H2/b7-4+
InChIKeyLRCQSTRQSRMNHA-QPJJXVBHSA-N
MW454.37 g/mol
LogP3.41
Rot. Bonds5

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

1-(4-bromophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidine-2,5-dione (PubChem CID 5285474) has the molecular formula C23H24BrN3O2 and a molecular weight of 454.37 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidine-2,5-dione
PubChem CID5285474
Molecular FormulaC23H24BrN3O2
Molecular Weight454.37 g/mol
Exact Mass453.11
IUPAC Name1-(4-bromophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCN(C/C=C/c3ccccc3)CC2)C(=O)N1c1ccc(Br)cc1
InChIInChI=1S/C23H24BrN3O2/c24-19-8-10-20(11-9-19)27-22(28)17-21(23(27)29)26-15-13-25(14-16-26)12-4-7-18-5-2-1-3-6-18/h1-11,21H,12-17H2/b7-4+
InChIKeyLRCQSTRQSRMNHA-QPJJXVBHSA-N
XLogP3.41
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.37
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Benzyl-3-(hydroxyanilino)-2,5-pyrrolidinedione
CID 2837843
1-(2-Fluorophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 2867506
1-Benzyl-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2988908
1-(2,4-Dibromophenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione
CID 3240820
4-[1-(4-Bromophenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1-carbaldehyde
CID 648829
1-(3-Methylphenyl)-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrrolidine-2,5-dione
CID 2832588
3-(4-Benzylpiperazin-1-yl)-1-phenylpyrrolidine-2,5-dione
CID 2833553
1-(3-Bromophenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 2835885
1-(4-Fluorophenyl)-3-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]pyrrolidine-2,5-dione
CID 2839888
1-(4-fluorophenyl)-3-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)pyrrolidine-2,5-dione
CID 4056093
1-[4-(2-oxopyrrolidin-1-yl)benzyl]-3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}pyrrolidine-2,5-dione
CID 5293528
1-(4-bromophenyl)-3-[2-(3,4-dihydro-1(2H)-quinolinyl)-2-oxoethyl]-2,4-imidazolidinedione
CID 2228525

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-bromophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidine-2,5-dione (CID 5285474) is 1-(4-bromophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-bromophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-bromophenyl)-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)N1c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is LRCQSTRQSRMNHA-QPJJXVBHSA-N. The full InChI is InChI=1S/C23H24BrN3O2/c24-19-8-10-20(11-9-19)27-22(28)17-21(23(27)29)26-15-13-25(14-16-26)12-4-7-18-5-2-1-3-6-18/h1-11,21H,12-17H2/b7-4+.
What are the key properties of 1-(4-bromophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidine-2,5-dione?
1-(4-bromophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 454.37 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 5285474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).