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

C16H18BrNO3 — CID 79429874

IUPAC3-(4-bromophenyl)-4-(oxan-4-yl)piperidine-2,6-dione
SMILESO=C1CC(C2CCOCC2)C(c2ccc(Br)cc2)C(=O)N1
InChIInChI=1S/C16H18BrNO3/c17-12-3-1-11(2-4-12)15-13(9-14(19)18-16(15)20)10-5-7-21-8-6-10/h1-4,10,13,15H,5-9H2,(H,18,19,20)
InChIKeyXPASVNZJRUGDMO-UHFFFAOYSA-N
MW352.23 g/mol
LogP2.62
Rot. Bonds2

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

3-(4-bromophenyl)-4-(oxan-4-yl)piperidine-2,6-dione (PubChem CID 79429874) has the molecular formula C16H18BrNO3 and a molecular weight of 352.23 g/mol. Its IUPAC name is 3-(4-bromophenyl)-4-(oxan-4-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(4-bromophenyl)-4-(oxan-4-yl)piperidine-2,6-dione
PubChem CID79429874
Molecular FormulaC16H18BrNO3
Molecular Weight352.23 g/mol
Exact Mass351.05
IUPAC Name3-(4-bromophenyl)-4-(oxan-4-yl)piperidine-2,6-dione
SMILESO=C1CC(C2CCOCC2)C(c2ccc(Br)cc2)C(=O)N1
InChIInChI=1S/C16H18BrNO3/c17-12-3-1-11(2-4-12)15-13(9-14(19)18-16(15)20)10-5-7-21-8-6-10/h1-4,10,13,15H,5-9H2,(H,18,19,20)
InChIKeyXPASVNZJRUGDMO-UHFFFAOYSA-N
XLogP2.62
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(3-bromophenyl)-4-(oxolan-3-yl)piperidine-2,6-dione
CID 79433280
3-(3-bromophenyl)-4-cyclopentylpiperidine-2,6-dione
CID 79431517
3-benzyl-4-(oxan-4-yl)piperidine-2,6-dione
CID 79309818
3-(3-bromophenyl)-4-cyclohex-3-en-1-ylpiperidine-2,6-dione
CID 79432736
4-cyclohexyl-3-(3-methylphenyl)piperidine-2,6-dione
CID 79424502
6-(4-bromophenyl)-2-oxa-8-azaspiro[4.5]decane-7,9-dione
CID 79435278
(5S)-5-(4-bromophenyl)morpholin-3-one
CID 124583230
(3R)-3-(4-bromophenyl)oxolane
CID 95731213
5-(4-bromophenyl)-9-methyl-3-azaspiro[5.5]undecane-2,4-dione
CID 79429863
3-(oxan-4-ylmethylamino)pyrrolidine-2,5-dione
CID 63726842
4-(4-bromothiophen-2-yl)-3-phenylpiperidine-2,6-dione
CID 79320189
(2R,5R)-2-(4-bromophenyl)-7-oxa-1,4-diazaspiro[4.4]nonan-3-one
CID 124583205

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-4-(oxan-4-yl)piperidine-2,6-dione?
The IUPAC name of 3-(4-bromophenyl)-4-(oxan-4-yl)piperidine-2,6-dione (CID 79429874) is 3-(4-bromophenyl)-4-(oxan-4-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(4-bromophenyl)-4-(oxan-4-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(4-bromophenyl)-4-(oxan-4-yl)piperidine-2,6-dione is O=C1CC(C2CCOCC2)C(c2ccc(Br)cc2)C(=O)N1.
What is the InChIKey of 3-(4-bromophenyl)-4-(oxan-4-yl)piperidine-2,6-dione?
The InChIKey is XPASVNZJRUGDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO3/c17-12-3-1-11(2-4-12)15-13(9-14(19)18-16(15)20)10-5-7-21-8-6-10/h1-4,10,13,15H,5-9H2,(H,18,19,20).
What are the key properties of 3-(4-bromophenyl)-4-(oxan-4-yl)piperidine-2,6-dione?
3-(4-bromophenyl)-4-(oxan-4-yl)piperidine-2,6-dione has a molecular weight of 352.23 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-4-(oxan-4-yl)piperidine-2,6-dione is sourced from PubChem (CID 79429874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).