4-(3-bromo-4-methoxyphenyl)piperidine-2,6-dione

C12H12BrNO3 — CID 63156689

IUPAC4-(3-bromo-4-methoxyphenyl)piperidine-2,6-dione
SMILESCOc1ccc(C2CC(=O)NC(=O)C2)cc1Br
InChIInChI=1S/C12H12BrNO3/c1-17-10-3-2-7(4-9(10)13)8-5-11(15)14-12(16)6-8/h2-4,8H,5-6H2,1H3,(H,14,15,16)
InChIKeyJQBSHLLOOFBEOX-UHFFFAOYSA-N
MW298.14 g/mol
LogP1.98
Rot. Bonds2

About 4-(3-bromo-4-methoxyphenyl)piperidine-2,6-dione

4-(3-bromo-4-methoxyphenyl)piperidine-2,6-dione (PubChem CID 63156689) has the molecular formula C12H12BrNO3 and a molecular weight of 298.14 g/mol. Its IUPAC name is 4-(3-bromo-4-methoxyphenyl)piperidine-2,6-dione.

Molecular Properties

Compound Name4-(3-bromo-4-methoxyphenyl)piperidine-2,6-dione
PubChem CID63156689
Molecular FormulaC12H12BrNO3
Molecular Weight298.14 g/mol
Exact Mass297.00
IUPAC Name4-(3-bromo-4-methoxyphenyl)piperidine-2,6-dione
SMILESCOc1ccc(C2CC(=O)NC(=O)C2)cc1Br
InChIInChI=1S/C12H12BrNO3/c1-17-10-3-2-7(4-9(10)13)8-5-11(15)14-12(16)6-8/h2-4,8H,5-6H2,1H3,(H,14,15,16)
InChIKeyJQBSHLLOOFBEOX-UHFFFAOYSA-N
XLogP1.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 51.98
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

4-(3-bromo-4-methoxyphenyl)-7-(4-ethoxy-3-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17063806
(5S)-5-(3-bromo-4-methoxyphenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 136910005
(4S)-4-(3-bromo-4-methoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171186730
5-(3-chloro-4-methoxyphenyl)cyclohexane-1,3-dione
CID 81340530
2-bromo-1-methoxy-4-[4-(methoxymethylidene)cyclohexyl]benzene
CID 146501795
methyl 4-(3-bromo-4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 3103125
4-(4-bromo-2,5-dimethoxyphenyl)-7-(4-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17060584
(4S,7S)-4-(4-bromo-2,5-dimethoxyphenyl)-7-(4-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 41123599
methyl (4S,7R)-4-(3-bromo-4-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1123405
4-(3-bromo-4-methylphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 17312454
6-(3-bromo-4-methoxyphenyl)-9-(2-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CID 17065170
(4S)-4-(3-ethoxy-4-methoxyphenyl)pyrrolidin-2-one
CID 53237458

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-methoxyphenyl)piperidine-2,6-dione?
The IUPAC name of 4-(3-bromo-4-methoxyphenyl)piperidine-2,6-dione (CID 63156689) is 4-(3-bromo-4-methoxyphenyl)piperidine-2,6-dione.
What is the SMILES notation for 4-(3-bromo-4-methoxyphenyl)piperidine-2,6-dione?
The canonical SMILES for 4-(3-bromo-4-methoxyphenyl)piperidine-2,6-dione is COc1ccc(C2CC(=O)NC(=O)C2)cc1Br.
What is the InChIKey of 4-(3-bromo-4-methoxyphenyl)piperidine-2,6-dione?
The InChIKey is JQBSHLLOOFBEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO3/c1-17-10-3-2-7(4-9(10)13)8-5-11(15)14-12(16)6-8/h2-4,8H,5-6H2,1H3,(H,14,15,16).
What are the key properties of 4-(3-bromo-4-methoxyphenyl)piperidine-2,6-dione?
4-(3-bromo-4-methoxyphenyl)piperidine-2,6-dione has a molecular weight of 298.14 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-methoxyphenyl)piperidine-2,6-dione is sourced from PubChem (CID 63156689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).