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

C20H20BrN3O2 — CID 2835885

IUPAC1-(3-bromophenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCN(c3ccccc3)CC2)C(=O)N1c1cccc(Br)c1
InChIInChI=1S/C20H20BrN3O2/c21-15-5-4-8-17(13-15)24-19(25)14-18(20(24)26)23-11-9-22(10-12-23)16-6-2-1-3-7-16/h1-8,13,18H,9-12,14H2
InChIKeyOQBMOLNUXUAYSH-UHFFFAOYSA-N
MW414.30 g/mol
LogP2.90
Rot. Bonds3

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

1-(3-bromophenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione (PubChem CID 2835885) has the molecular formula C20H20BrN3O2 and a molecular weight of 414.30 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
PubChem CID2835885
Molecular FormulaC20H20BrN3O2
Molecular Weight414.30 g/mol
Exact Mass413.07
IUPAC Name1-(3-bromophenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCN(c3ccccc3)CC2)C(=O)N1c1cccc(Br)c1
InChIInChI=1S/C20H20BrN3O2/c21-15-5-4-8-17(13-15)24-19(25)14-18(20(24)26)23-11-9-22(10-12-23)16-6-2-1-3-7-16/h1-8,13,18H,9-12,14H2
InChIKeyOQBMOLNUXUAYSH-UHFFFAOYSA-N
XLogP2.90
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.30
LogP ≤ 52.90
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

N-Phenyl-2-piperidinosuccinimide
CID 250855
N-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3112067
1-(4-bromophenyl)-3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}pyrrolidine-2,5-dione
CID 5285474
3-[4-(4-Fluorophenyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione
CID 2833555
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
3-(4-Benzylpiperazin-1-yl)-1-phenylpyrrolidine-2,5-dione
CID 2833553
N-(3-bromophenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 4306285
N-(3-bromophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 2902416
1-(4-Bromophenyl)-3-(diethylamino)pyrrolidine-2,5-dione
CID 2841262
1-(3-Bromophenyl)-3-thiomorpholin-4-ylpyrrolidine-2,5-dione
CID 2859252
N-(4-bromophenyl)-2-[3-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2,4-dihydroquinoxalin-2-yl]acetamide
CID 16309500

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(3-bromophenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione (CID 2835885) is 1-(3-bromophenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-bromophenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-bromophenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione is O=C1CC(N2CCN(c3ccccc3)CC2)C(=O)N1c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione?
The InChIKey is OQBMOLNUXUAYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O2/c21-15-5-4-8-17(13-15)24-19(25)14-18(20(24)26)23-11-9-22(10-12-23)16-6-2-1-3-7-16/h1-8,13,18H,9-12,14H2.
What are the key properties of 1-(3-bromophenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione?
1-(3-bromophenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione has a molecular weight of 414.30 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2835885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).