3-(4-bromophenyl)-1-[3-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-2,5-dione

C23H26BrN3O2 — CID 10551755

IUPAC3-(4-bromophenyl)-1-[3-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-2,5-dione
SMILESO=C1CC(c2ccc(Br)cc2)C(=O)N1CCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H26BrN3O2/c24-19-9-7-18(8-10-19)21-17-22(28)27(23(21)29)12-4-11-25-13-15-26(16-14-25)20-5-2-1-3-6-20/h1-3,5-10,21H,4,11-17H2
InChIKeyRDUUAVJBMBUIOL-UHFFFAOYSA-N
MW456.38 g/mol
LogP3.50
Rot. Bonds6

About 3-(4-bromophenyl)-1-[3-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-2,5-dione

3-(4-bromophenyl)-1-[3-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-2,5-dione (PubChem CID 10551755) has the molecular formula C23H26BrN3O2 and a molecular weight of 456.38 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-[3-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-bromophenyl)-1-[3-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-2,5-dione
PubChem CID10551755
Molecular FormulaC23H26BrN3O2
Molecular Weight456.38 g/mol
Exact Mass455.12
IUPAC Name3-(4-bromophenyl)-1-[3-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-2,5-dione
SMILESO=C1CC(c2ccc(Br)cc2)C(=O)N1CCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H26BrN3O2/c24-19-9-7-18(8-10-19)21-17-22(28)27(23(21)29)12-4-11-25-13-15-26(16-14-25)20-5-2-1-3-6-20/h1-3,5-10,21H,4,11-17H2
InChIKeyRDUUAVJBMBUIOL-UHFFFAOYSA-N
XLogP3.50
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.38
LogP ≤ 53.50
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-bromophenyl)-1-[3-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-(4-bromophenyl)-1-[3-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-2,5-dione (CID 10551755) is 3-(4-bromophenyl)-1-[3-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-bromophenyl)-1-[3-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-bromophenyl)-1-[3-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-2,5-dione is O=C1CC(c2ccc(Br)cc2)C(=O)N1CCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 3-(4-bromophenyl)-1-[3-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-2,5-dione?
The InChIKey is RDUUAVJBMBUIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26BrN3O2/c24-19-9-7-18(8-10-19)21-17-22(28)27(23(21)29)12-4-11-25-13-15-26(16-14-25)20-5-2-1-3-6-20/h1-3,5-10,21H,4,11-17H2.
What are the key properties of 3-(4-bromophenyl)-1-[3-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-2,5-dione?
3-(4-bromophenyl)-1-[3-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-2,5-dione has a molecular weight of 456.38 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1-[3-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 10551755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).