4-methyl-3-(2-methylphenyl)-4-pentylpiperidine-2,6-dione

C18H25NO2 — CID 80558882

IUPAC4-methyl-3-(2-methylphenyl)-4-pentylpiperidine-2,6-dione
SMILESCCCCCC1(C)CC(=O)NC(=O)C1c1ccccc1C
InChIInChI=1S/C18H25NO2/c1-4-5-8-11-18(3)12-15(20)19-17(21)16(18)14-10-7-6-9-13(14)2/h6-7,9-10,16H,4-5,8,11-12H2,1-3H3,(H,19,20,21)
InChIKeyZLFVDQAAICEENA-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.71
Rot. Bonds5

About 4-methyl-3-(2-methylphenyl)-4-pentylpiperidine-2,6-dione

4-methyl-3-(2-methylphenyl)-4-pentylpiperidine-2,6-dione (PubChem CID 80558882) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 4-methyl-3-(2-methylphenyl)-4-pentylpiperidine-2,6-dione.

Molecular Properties

Compound Name4-methyl-3-(2-methylphenyl)-4-pentylpiperidine-2,6-dione
PubChem CID80558882
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name4-methyl-3-(2-methylphenyl)-4-pentylpiperidine-2,6-dione
SMILESCCCCCC1(C)CC(=O)NC(=O)C1c1ccccc1C
InChIInChI=1S/C18H25NO2/c1-4-5-8-11-18(3)12-15(20)19-17(21)16(18)14-10-7-6-9-13(14)2/h6-7,9-10,16H,4-5,8,11-12H2,1-3H3,(H,19,20,21)
InChIKeyZLFVDQAAICEENA-UHFFFAOYSA-N
XLogP3.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2-methylphenyl)-4-pentylpiperidine-2,6-dione?
The IUPAC name of 4-methyl-3-(2-methylphenyl)-4-pentylpiperidine-2,6-dione (CID 80558882) is 4-methyl-3-(2-methylphenyl)-4-pentylpiperidine-2,6-dione.
What is the SMILES notation for 4-methyl-3-(2-methylphenyl)-4-pentylpiperidine-2,6-dione?
The canonical SMILES for 4-methyl-3-(2-methylphenyl)-4-pentylpiperidine-2,6-dione is CCCCCC1(C)CC(=O)NC(=O)C1c1ccccc1C.
What is the InChIKey of 4-methyl-3-(2-methylphenyl)-4-pentylpiperidine-2,6-dione?
The InChIKey is ZLFVDQAAICEENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-4-5-8-11-18(3)12-15(20)19-17(21)16(18)14-10-7-6-9-13(14)2/h6-7,9-10,16H,4-5,8,11-12H2,1-3H3,(H,19,20,21).
What are the key properties of 4-methyl-3-(2-methylphenyl)-4-pentylpiperidine-2,6-dione?
4-methyl-3-(2-methylphenyl)-4-pentylpiperidine-2,6-dione has a molecular weight of 287.40 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-methylphenyl)-4-pentylpiperidine-2,6-dione is sourced from PubChem (CID 80558882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).