3-(3-bromophenyl)-4-(oxolan-3-yl)piperidine-2,6-dione

C15H16BrNO3 — CID 79433280

IUPAC3-(3-bromophenyl)-4-(oxolan-3-yl)piperidine-2,6-dione
SMILESO=C1CC(C2CCOC2)C(c2cccc(Br)c2)C(=O)N1
InChIInChI=1S/C15H16BrNO3/c16-11-3-1-2-9(6-11)14-12(10-4-5-20-8-10)7-13(18)17-15(14)19/h1-3,6,10,12,14H,4-5,7-8H2,(H,17,18,19)
InChIKeyZKWZFMOZGYSGJK-UHFFFAOYSA-N
MW338.20 g/mol
LogP2.23
Rot. Bonds2

About 3-(3-bromophenyl)-4-(oxolan-3-yl)piperidine-2,6-dione

3-(3-bromophenyl)-4-(oxolan-3-yl)piperidine-2,6-dione (PubChem CID 79433280) has the molecular formula C15H16BrNO3 and a molecular weight of 338.20 g/mol. Its IUPAC name is 3-(3-bromophenyl)-4-(oxolan-3-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(3-bromophenyl)-4-(oxolan-3-yl)piperidine-2,6-dione
PubChem CID79433280
Molecular FormulaC15H16BrNO3
Molecular Weight338.20 g/mol
Exact Mass337.03
IUPAC Name3-(3-bromophenyl)-4-(oxolan-3-yl)piperidine-2,6-dione
SMILESO=C1CC(C2CCOC2)C(c2cccc(Br)c2)C(=O)N1
InChIInChI=1S/C15H16BrNO3/c16-11-3-1-2-9(6-11)14-12(10-4-5-20-8-10)7-13(18)17-15(14)19/h1-3,6,10,12,14H,4-5,7-8H2,(H,17,18,19)
InChIKeyZKWZFMOZGYSGJK-UHFFFAOYSA-N
XLogP2.23
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 52.23
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-(3-bromophenyl)-4-(oxolan-3-yl)piperidine-2,6-dione?
The IUPAC name of 3-(3-bromophenyl)-4-(oxolan-3-yl)piperidine-2,6-dione (CID 79433280) is 3-(3-bromophenyl)-4-(oxolan-3-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(3-bromophenyl)-4-(oxolan-3-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(3-bromophenyl)-4-(oxolan-3-yl)piperidine-2,6-dione is O=C1CC(C2CCOC2)C(c2cccc(Br)c2)C(=O)N1.
What is the InChIKey of 3-(3-bromophenyl)-4-(oxolan-3-yl)piperidine-2,6-dione?
The InChIKey is ZKWZFMOZGYSGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3/c16-11-3-1-2-9(6-11)14-12(10-4-5-20-8-10)7-13(18)17-15(14)19/h1-3,6,10,12,14H,4-5,7-8H2,(H,17,18,19).
What are the key properties of 3-(3-bromophenyl)-4-(oxolan-3-yl)piperidine-2,6-dione?
3-(3-bromophenyl)-4-(oxolan-3-yl)piperidine-2,6-dione has a molecular weight of 338.20 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-4-(oxolan-3-yl)piperidine-2,6-dione is sourced from PubChem (CID 79433280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).