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

C13H14BrNO3 — CID 54970604

IUPAC1-[(5-bromo-2-methoxyphenyl)methyl]piperidine-2,6-dione
SMILESCOc1ccc(Br)cc1CN1C(=O)CCCC1=O
InChIInChI=1S/C13H14BrNO3/c1-18-11-6-5-10(14)7-9(11)8-15-12(16)3-2-4-13(15)17/h5-7H,2-4,8H2,1H3
InChIKeyHFCIWRDCGUMSLW-UHFFFAOYSA-N
MW312.16 g/mol
LogP2.50
Rot. Bonds3

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

1-[(5-bromo-2-methoxyphenyl)methyl]piperidine-2,6-dione (PubChem CID 54970604) has the molecular formula C13H14BrNO3 and a molecular weight of 312.16 g/mol. Its IUPAC name is 1-[(5-bromo-2-methoxyphenyl)methyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[(5-bromo-2-methoxyphenyl)methyl]piperidine-2,6-dione
PubChem CID54970604
Molecular FormulaC13H14BrNO3
Molecular Weight312.16 g/mol
Exact Mass311.02
IUPAC Name1-[(5-bromo-2-methoxyphenyl)methyl]piperidine-2,6-dione
SMILESCOc1ccc(Br)cc1CN1C(=O)CCCC1=O
InChIInChI=1S/C13H14BrNO3/c1-18-11-6-5-10(14)7-9(11)8-15-12(16)3-2-4-13(15)17/h5-7H,2-4,8H2,1H3
InChIKeyHFCIWRDCGUMSLW-UHFFFAOYSA-N
XLogP2.50
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
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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Related Compounds

1-[(5-amino-2-methoxyphenyl)methyl]azepane-2,7-dione
CID 43447450
1-[[(5-bromo-2-methoxyphenyl)methyl-methylamino]methyl]pyrrolidine-2,5-dione
CID 2663779
3-[(5-bromo-2-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17428005
1-[(5-bromo-2-methoxyphenyl)methyl]azetidine
CID 130159732
1-[(5-bromo-2-methoxyphenyl)methyl]-3,3-dimethylpiperazine-2,6-dione
CID 66069421
2-[(5-bromo-2-methoxyphenyl)methyl]-6,7-dihydro-5H-isoindol-4-one
CID 83208005
1-(5-bromo-2-methoxyphenyl)piperidine-2,6-dione
CID 54967272
4-[(5-amino-2-methoxyphenyl)methyl]morpholine-3,5-dione
CID 61328540
1-[(5-bromo-2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 62874011
1-[(5-bromo-2-methoxyphenyl)methyl]-1,4-diazepan-2-one
CID 65361687
3,5-dibromo-1-[(5-bromo-2-methoxyphenyl)methyl]pyrazole
CID 114692719
1-[(5-bromo-2-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonitrile
CID 116837942

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-methoxyphenyl)methyl]piperidine-2,6-dione?
The IUPAC name of 1-[(5-bromo-2-methoxyphenyl)methyl]piperidine-2,6-dione (CID 54970604) is 1-[(5-bromo-2-methoxyphenyl)methyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[(5-bromo-2-methoxyphenyl)methyl]piperidine-2,6-dione?
The canonical SMILES for 1-[(5-bromo-2-methoxyphenyl)methyl]piperidine-2,6-dione is COc1ccc(Br)cc1CN1C(=O)CCCC1=O.
What is the InChIKey of 1-[(5-bromo-2-methoxyphenyl)methyl]piperidine-2,6-dione?
The InChIKey is HFCIWRDCGUMSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO3/c1-18-11-6-5-10(14)7-9(11)8-15-12(16)3-2-4-13(15)17/h5-7H,2-4,8H2,1H3.
What are the key properties of 1-[(5-bromo-2-methoxyphenyl)methyl]piperidine-2,6-dione?
1-[(5-bromo-2-methoxyphenyl)methyl]piperidine-2,6-dione has a molecular weight of 312.16 g/mol, XLogP of 2.50, 3 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)methyl]piperidine-2,6-dione is sourced from PubChem (CID 54970604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).