4,4-dimethyl-1-[2-(3-methylphenyl)-2-oxoethyl]piperidine-2,6-dione

C16H19NO3 — CID 62934469

IUPAC4,4-dimethyl-1-[2-(3-methylphenyl)-2-oxoethyl]piperidine-2,6-dione
SMILESCc1cccc(C(=O)CN2C(=O)CC(C)(C)CC2=O)c1
InChIInChI=1S/C16H19NO3/c1-11-5-4-6-12(7-11)13(18)10-17-14(19)8-16(2,3)9-15(17)20/h4-7H,8-10H2,1-3H3
InChIKeyIJNBKNJEOUQXLY-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.35
Rot. Bonds3

About 4,4-dimethyl-1-[2-(3-methylphenyl)-2-oxoethyl]piperidine-2,6-dione

4,4-dimethyl-1-[2-(3-methylphenyl)-2-oxoethyl]piperidine-2,6-dione (PubChem CID 62934469) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 4,4-dimethyl-1-[2-(3-methylphenyl)-2-oxoethyl]piperidine-2,6-dione.

Molecular Properties

Compound Name4,4-dimethyl-1-[2-(3-methylphenyl)-2-oxoethyl]piperidine-2,6-dione
PubChem CID62934469
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name4,4-dimethyl-1-[2-(3-methylphenyl)-2-oxoethyl]piperidine-2,6-dione
SMILESCc1cccc(C(=O)CN2C(=O)CC(C)(C)CC2=O)c1
InChIInChI=1S/C16H19NO3/c1-11-5-4-6-12(7-11)13(18)10-17-14(19)8-16(2,3)9-15(17)20/h4-7H,8-10H2,1-3H3
InChIKeyIJNBKNJEOUQXLY-UHFFFAOYSA-N
XLogP2.35
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.35
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

2-(4-methyl-1,4-diazepan-1-yl)-1-(3-methylphenyl)ethanone
CID 43794788
3-(4,4-dimethylpiperidin-1-yl)-1-(3-methylphenyl)propan-1-one
CID 55156322
4,4-dimethyl-1-phenacylpyrrolidin-2-one
CID 176908615
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-(3-methylphenyl)ethanone
CID 107223640
5-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1,5-dimethyl-3-[2-(3-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 158611738
1-[[3-(hydroxymethyl)phenyl]methyl]-4,4-dimethylpiperidine-2,6-dione
CID 63311734
8-phenacyl-8-azaspiro[4.5]decane-7,9-dione
CID 46934489
4-[2-(3-methylphenyl)-2-oxoethyl]piperazin-2-one
CID 62052117
1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]-4,4-dimethylpiperidine-2,6-dione
CID 62935317
1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-4,4-dimethylpiperidine-2,6-dione
CID 55156736
1-(3-methylphenyl)but-3-en-1-one
CID 61380184
1-cyclopropyl-3-[2-(3-methylphenyl)-2-oxoethyl]imidazol-2-one
CID 80581515

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[2-(3-methylphenyl)-2-oxoethyl]piperidine-2,6-dione?
The IUPAC name of 4,4-dimethyl-1-[2-(3-methylphenyl)-2-oxoethyl]piperidine-2,6-dione (CID 62934469) is 4,4-dimethyl-1-[2-(3-methylphenyl)-2-oxoethyl]piperidine-2,6-dione.
What is the SMILES notation for 4,4-dimethyl-1-[2-(3-methylphenyl)-2-oxoethyl]piperidine-2,6-dione?
The canonical SMILES for 4,4-dimethyl-1-[2-(3-methylphenyl)-2-oxoethyl]piperidine-2,6-dione is Cc1cccc(C(=O)CN2C(=O)CC(C)(C)CC2=O)c1.
What is the InChIKey of 4,4-dimethyl-1-[2-(3-methylphenyl)-2-oxoethyl]piperidine-2,6-dione?
The InChIKey is IJNBKNJEOUQXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-11-5-4-6-12(7-11)13(18)10-17-14(19)8-16(2,3)9-15(17)20/h4-7H,8-10H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-[2-(3-methylphenyl)-2-oxoethyl]piperidine-2,6-dione?
4,4-dimethyl-1-[2-(3-methylphenyl)-2-oxoethyl]piperidine-2,6-dione has a molecular weight of 273.33 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[2-(3-methylphenyl)-2-oxoethyl]piperidine-2,6-dione is sourced from PubChem (CID 62934469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).