3-[(4-bromophenyl)methyl]-1-methylpiperidine-2,6-dione

C13H14BrNO2 — CID 14531168

IUPAC3-[(4-bromophenyl)methyl]-1-methylpiperidine-2,6-dione
SMILESCN1C(=O)CCC(Cc2ccc(Br)cc2)C1=O
InChIInChI=1S/C13H14BrNO2/c1-15-12(16)7-4-10(13(15)17)8-9-2-5-11(14)6-3-9/h2-3,5-6,10H,4,7-8H2,1H3
InChIKeyMNEIBSUUFOFLMN-UHFFFAOYSA-N
MW296.16 g/mol
LogP2.39
Rot. Bonds2

About 3-[(4-bromophenyl)methyl]-1-methylpiperidine-2,6-dione

3-[(4-bromophenyl)methyl]-1-methylpiperidine-2,6-dione (PubChem CID 14531168) has the molecular formula C13H14BrNO2 and a molecular weight of 296.16 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methyl]-1-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-[(4-bromophenyl)methyl]-1-methylpiperidine-2,6-dione
PubChem CID14531168
Molecular FormulaC13H14BrNO2
Molecular Weight296.16 g/mol
Exact Mass295.02
IUPAC Name3-[(4-bromophenyl)methyl]-1-methylpiperidine-2,6-dione
SMILESCN1C(=O)CCC(Cc2ccc(Br)cc2)C1=O
InChIInChI=1S/C13H14BrNO2/c1-15-12(16)7-4-10(13(15)17)8-9-2-5-11(14)6-3-9/h2-3,5-6,10H,4,7-8H2,1H3
InChIKeyMNEIBSUUFOFLMN-UHFFFAOYSA-N
XLogP2.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-benzyl-1-methylpyrrolidine-2,5-dione
CID 3064864
5-[(4-bromophenyl)methyl]-1-(2,2-dimethylpropanoyl)pyrrolidin-2-one
CID 77392127
3-[(4-bromophenyl)methyl]-1-(3,5-dimethylphenyl)pyrrolidine-2,5-dione
CID 3758336
trans-(2R,4R)-2-[(4-bromophenyl)methyl]-4-tert-butylcyclohexan-1-one
CID 129377272
3-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 2910200
(3R)-3-[(4-bromophenyl)methyl]piperidin-2-one
CID 124593006
(3S)-3-[(4-bromophenyl)methyl]-5-methyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione
CID 175728799
(3R)-3-amino-1-methylpiperidine-2,6-dione;hydrobromide
CID 146401292
1-bromo-4-[[(1R,2S)-2-methylcyclopropyl]methyl]benzene
CID 160773433
(4S)-4-[(4-bromophenyl)methyl]-3-hydroxy-2-methylcyclopent-2-en-1-one
CID 124527195
2,5-dibromo-N-(1-methyl-2,6-dioxopiperidin-3-yl)benzamide
CID 114372512
tert-butyl 2-(1-methyl-2,6-dioxopiperidin-3-yl)acetate
CID 58127117

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methyl]-1-methylpiperidine-2,6-dione?
The IUPAC name of 3-[(4-bromophenyl)methyl]-1-methylpiperidine-2,6-dione (CID 14531168) is 3-[(4-bromophenyl)methyl]-1-methylpiperidine-2,6-dione.
What is the SMILES notation for 3-[(4-bromophenyl)methyl]-1-methylpiperidine-2,6-dione?
The canonical SMILES for 3-[(4-bromophenyl)methyl]-1-methylpiperidine-2,6-dione is CN1C(=O)CCC(Cc2ccc(Br)cc2)C1=O.
What is the InChIKey of 3-[(4-bromophenyl)methyl]-1-methylpiperidine-2,6-dione?
The InChIKey is MNEIBSUUFOFLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO2/c1-15-12(16)7-4-10(13(15)17)8-9-2-5-11(14)6-3-9/h2-3,5-6,10H,4,7-8H2,1H3.
What are the key properties of 3-[(4-bromophenyl)methyl]-1-methylpiperidine-2,6-dione?
3-[(4-bromophenyl)methyl]-1-methylpiperidine-2,6-dione has a molecular weight of 296.16 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methyl]-1-methylpiperidine-2,6-dione is sourced from PubChem (CID 14531168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).