3-[2-[3-(2-bromophenyl)azetidin-1-yl]-2-oxoethyl]piperidine-2,6-dione

C16H17BrN2O3 — CID 166306930

IUPAC3-[2-[3-(2-bromophenyl)azetidin-1-yl]-2-oxoethyl]piperidine-2,6-dione
SMILESO=C1CCC(CC(=O)N2CC(c3ccccc3Br)C2)C(=O)N1
InChIInChI=1S/C16H17BrN2O3/c17-13-4-2-1-3-12(13)11-8-19(9-11)15(21)7-10-5-6-14(20)18-16(10)22/h1-4,10-11H,5-9H2,(H,18,20,22)
InChIKeyYQLZCLAOIXXRIK-UHFFFAOYSA-N
MW365.23 g/mol
LogP1.82
Rot. Bonds3

About 3-[2-[3-(2-bromophenyl)azetidin-1-yl]-2-oxoethyl]piperidine-2,6-dione

3-[2-[3-(2-bromophenyl)azetidin-1-yl]-2-oxoethyl]piperidine-2,6-dione (PubChem CID 166306930) has the molecular formula C16H17BrN2O3 and a molecular weight of 365.23 g/mol. Its IUPAC name is 3-[2-[3-(2-bromophenyl)azetidin-1-yl]-2-oxoethyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[2-[3-(2-bromophenyl)azetidin-1-yl]-2-oxoethyl]piperidine-2,6-dione
PubChem CID166306930
Molecular FormulaC16H17BrN2O3
Molecular Weight365.23 g/mol
Exact Mass364.04
IUPAC Name3-[2-[3-(2-bromophenyl)azetidin-1-yl]-2-oxoethyl]piperidine-2,6-dione
SMILESO=C1CCC(CC(=O)N2CC(c3ccccc3Br)C2)C(=O)N1
InChIInChI=1S/C16H17BrN2O3/c17-13-4-2-1-3-12(13)11-8-19(9-11)15(21)7-10-5-6-14(20)18-16(10)22/h1-4,10-11H,5-9H2,(H,18,20,22)
InChIKeyYQLZCLAOIXXRIK-UHFFFAOYSA-N
XLogP1.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 51.82
H-Bond Donors ≤ 51
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 3-[2-[3-(2-bromophenyl)azetidin-1-yl]-2-oxoethyl]piperidine-2,6-dione?
The IUPAC name of 3-[2-[3-(2-bromophenyl)azetidin-1-yl]-2-oxoethyl]piperidine-2,6-dione (CID 166306930) is 3-[2-[3-(2-bromophenyl)azetidin-1-yl]-2-oxoethyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[2-[3-(2-bromophenyl)azetidin-1-yl]-2-oxoethyl]piperidine-2,6-dione?
The canonical SMILES for 3-[2-[3-(2-bromophenyl)azetidin-1-yl]-2-oxoethyl]piperidine-2,6-dione is O=C1CCC(CC(=O)N2CC(c3ccccc3Br)C2)C(=O)N1.
What is the InChIKey of 3-[2-[3-(2-bromophenyl)azetidin-1-yl]-2-oxoethyl]piperidine-2,6-dione?
The InChIKey is YQLZCLAOIXXRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3/c17-13-4-2-1-3-12(13)11-8-19(9-11)15(21)7-10-5-6-14(20)18-16(10)22/h1-4,10-11H,5-9H2,(H,18,20,22).
What are the key properties of 3-[2-[3-(2-bromophenyl)azetidin-1-yl]-2-oxoethyl]piperidine-2,6-dione?
3-[2-[3-(2-bromophenyl)azetidin-1-yl]-2-oxoethyl]piperidine-2,6-dione has a molecular weight of 365.23 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(2-bromophenyl)azetidin-1-yl]-2-oxoethyl]piperidine-2,6-dione is sourced from PubChem (CID 166306930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).