1-(2,4-dibromophenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione

C16H18Br2N2O2 — CID 3240820

IUPAC1-(2,4-dibromophenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione
SMILESCC1CCN(C2CC(=O)N(c3ccc(Br)cc3Br)C2=O)CC1
InChIInChI=1S/C16H18Br2N2O2/c1-10-4-6-19(7-5-10)14-9-15(21)20(16(14)22)13-3-2-11(17)8-12(13)18/h2-3,8,10,14H,4-7,9H2,1H3
InChIKeyDNUXKKBNDCSYOH-UHFFFAOYSA-N
MW430.14 g/mol
LogP3.58
Rot. Bonds2

About 1-(2,4-dibromophenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione

1-(2,4-dibromophenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione (PubChem CID 3240820) has the molecular formula C16H18Br2N2O2 and a molecular weight of 430.14 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione
PubChem CID3240820
Molecular FormulaC16H18Br2N2O2
Molecular Weight430.14 g/mol
Exact Mass427.97
IUPAC Name1-(2,4-dibromophenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione
SMILESCC1CCN(C2CC(=O)N(c3ccc(Br)cc3Br)C2=O)CC1
InChIInChI=1S/C16H18Br2N2O2/c1-10-4-6-19(7-5-10)14-9-15(21)20(16(14)22)13-3-2-11(17)8-12(13)18/h2-3,8,10,14H,4-7,9H2,1H3
InChIKeyDNUXKKBNDCSYOH-UHFFFAOYSA-N
XLogP3.58
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.14
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2,4-dibromophenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(2,4-dibromophenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione (CID 3240820) is 1-(2,4-dibromophenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2,4-dibromophenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(2,4-dibromophenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione is CC1CCN(C2CC(=O)N(c3ccc(Br)cc3Br)C2=O)CC1.
What is the InChIKey of 1-(2,4-dibromophenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione?
The InChIKey is DNUXKKBNDCSYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Br2N2O2/c1-10-4-6-19(7-5-10)14-9-15(21)20(16(14)22)13-3-2-11(17)8-12(13)18/h2-3,8,10,14H,4-7,9H2,1H3.
What are the key properties of 1-(2,4-dibromophenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione?
1-(2,4-dibromophenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione has a molecular weight of 430.14 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 3240820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).