1-(5-bromo-2-methoxyphenyl)piperidine-2,6-dione

C12H12BrNO3 — CID 54967272

IUPAC1-(5-bromo-2-methoxyphenyl)piperidine-2,6-dione
SMILESCOc1ccc(Br)cc1N1C(=O)CCCC1=O
InChIInChI=1S/C12H12BrNO3/c1-17-10-6-5-8(13)7-9(10)14-11(15)3-2-4-12(14)16/h5-7H,2-4H2,1H3
InChIKeyXRYZJOFPKAKVSF-UHFFFAOYSA-N
MW298.14 g/mol
LogP2.50
Rot. Bonds2

About 1-(5-bromo-2-methoxyphenyl)piperidine-2,6-dione

1-(5-bromo-2-methoxyphenyl)piperidine-2,6-dione (PubChem CID 54967272) has the molecular formula C12H12BrNO3 and a molecular weight of 298.14 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)piperidine-2,6-dione.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)piperidine-2,6-dione
PubChem CID54967272
Molecular FormulaC12H12BrNO3
Molecular Weight298.14 g/mol
Exact Mass297.00
IUPAC Name1-(5-bromo-2-methoxyphenyl)piperidine-2,6-dione
SMILESCOc1ccc(Br)cc1N1C(=O)CCCC1=O
InChIInChI=1S/C12H12BrNO3/c1-17-10-6-5-8(13)7-9(10)14-11(15)3-2-4-12(14)16/h5-7H,2-4H2,1H3
InChIKeyXRYZJOFPKAKVSF-UHFFFAOYSA-N
XLogP2.50
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 52.50
H-Bond Donors ≤ 50
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 1-(5-bromo-2-methoxyphenyl)piperidine-2,6-dione?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)piperidine-2,6-dione (CID 54967272) is 1-(5-bromo-2-methoxyphenyl)piperidine-2,6-dione.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)piperidine-2,6-dione?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)piperidine-2,6-dione is COc1ccc(Br)cc1N1C(=O)CCCC1=O.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)piperidine-2,6-dione?
The InChIKey is XRYZJOFPKAKVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO3/c1-17-10-6-5-8(13)7-9(10)14-11(15)3-2-4-12(14)16/h5-7H,2-4H2,1H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)piperidine-2,6-dione?
1-(5-bromo-2-methoxyphenyl)piperidine-2,6-dione has a molecular weight of 298.14 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)piperidine-2,6-dione is sourced from PubChem (CID 54967272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).