3-(3-bromophenyl)-4-cyclohex-3-en-1-ylpiperidine-2,6-dione

C17H18BrNO2 — CID 79432736

IUPAC3-(3-bromophenyl)-4-cyclohex-3-en-1-ylpiperidine-2,6-dione
SMILESO=C1CC(C2CC=CCC2)C(c2cccc(Br)c2)C(=O)N1
InChIInChI=1S/C17H18BrNO2/c18-13-8-4-7-12(9-13)16-14(10-15(20)19-17(16)21)11-5-2-1-3-6-11/h1-2,4,7-9,11,14,16H,3,5-6,10H2,(H,19,20,21)
InChIKeyILRBHOBEJRBMJF-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.55
Rot. Bonds2

About 3-(3-bromophenyl)-4-cyclohex-3-en-1-ylpiperidine-2,6-dione

3-(3-bromophenyl)-4-cyclohex-3-en-1-ylpiperidine-2,6-dione (PubChem CID 79432736) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 3-(3-bromophenyl)-4-cyclohex-3-en-1-ylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-(3-bromophenyl)-4-cyclohex-3-en-1-ylpiperidine-2,6-dione
PubChem CID79432736
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name3-(3-bromophenyl)-4-cyclohex-3-en-1-ylpiperidine-2,6-dione
SMILESO=C1CC(C2CC=CCC2)C(c2cccc(Br)c2)C(=O)N1
InChIInChI=1S/C17H18BrNO2/c18-13-8-4-7-12(9-13)16-14(10-15(20)19-17(16)21)11-5-2-1-3-6-11/h1-2,4,7-9,11,14,16H,3,5-6,10H2,(H,19,20,21)
InChIKeyILRBHOBEJRBMJF-UHFFFAOYSA-N
XLogP3.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Bromophenylsuccinimide
CID 65706
3-Phenyl-2,6-piperidinedione
CID 85686
4-(4-Bromophenyl)piperidine-2,6-dione
CID 12463511
3-[1-[(3-Bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione
CID 14479857
3-[(4-Bromophenyl)methyl]piperidine-2,6-dione
CID 356410
3-[(2-Bromophenyl)methyl]piperidine-2,6-dione
CID 356412
5-Bromo-3-ethyl-6-hydroxy-3-phenyl-4,5-dihydropyridin-2(3H)-one
CID 3043688
2-(3-bromophenyl)-N-tert-butylacetamide
CID 3559735
3-(4-Bromophenyl)piperidin-2-one
CID 46840040
3-[(3-Bromophenyl)methyl]piperidine-2,6-dione
CID 64160105
3-(2-Bromophenyl)piperidine-2,6-dione
CID 82625292
rel-(3R,5S)-3,5-Diphenyl-2,6-piperidinedione
CID 56951573

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-4-cyclohex-3-en-1-ylpiperidine-2,6-dione?
The IUPAC name of 3-(3-bromophenyl)-4-cyclohex-3-en-1-ylpiperidine-2,6-dione (CID 79432736) is 3-(3-bromophenyl)-4-cyclohex-3-en-1-ylpiperidine-2,6-dione.
What is the SMILES notation for 3-(3-bromophenyl)-4-cyclohex-3-en-1-ylpiperidine-2,6-dione?
The canonical SMILES for 3-(3-bromophenyl)-4-cyclohex-3-en-1-ylpiperidine-2,6-dione is O=C1CC(C2CC=CCC2)C(c2cccc(Br)c2)C(=O)N1.
What is the InChIKey of 3-(3-bromophenyl)-4-cyclohex-3-en-1-ylpiperidine-2,6-dione?
The InChIKey is ILRBHOBEJRBMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c18-13-8-4-7-12(9-13)16-14(10-15(20)19-17(16)21)11-5-2-1-3-6-11/h1-2,4,7-9,11,14,16H,3,5-6,10H2,(H,19,20,21).
What are the key properties of 3-(3-bromophenyl)-4-cyclohex-3-en-1-ylpiperidine-2,6-dione?
3-(3-bromophenyl)-4-cyclohex-3-en-1-ylpiperidine-2,6-dione has a molecular weight of 348.24 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-4-cyclohex-3-en-1-ylpiperidine-2,6-dione is sourced from PubChem (CID 79432736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).