3-[2-(2,5-dimethylphenyl)ethyl]piperidine-2,6-dione;ethane

C17H25NO2 — CID 161281215

IUPAC3-[2-(2,5-dimethylphenyl)ethyl]piperidine-2,6-dione;ethane
SMILESCC.Cc1ccc(C)c(CCC2CCC(=O)NC2=O)c1
InChIInChI=1S/C15H19NO2.C2H6/c1-10-3-4-11(2)13(9-10)6-5-12-7-8-14(17)16-15(12)18;1-2/h3-4,9,12H,5-8H2,1-2H3,(H,16,17,18);1-2H3
InChIKeyVFCMWGPPBHBIIZ-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.32
Rot. Bonds3

About 3-[2-(2,5-dimethylphenyl)ethyl]piperidine-2,6-dione;ethane

3-[2-(2,5-dimethylphenyl)ethyl]piperidine-2,6-dione;ethane (PubChem CID 161281215) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-[2-(2,5-dimethylphenyl)ethyl]piperidine-2,6-dione;ethane.

Molecular Properties

Compound Name3-[2-(2,5-dimethylphenyl)ethyl]piperidine-2,6-dione;ethane
PubChem CID161281215
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-[2-(2,5-dimethylphenyl)ethyl]piperidine-2,6-dione;ethane
SMILESCC.Cc1ccc(C)c(CCC2CCC(=O)NC2=O)c1
InChIInChI=1S/C15H19NO2.C2H6/c1-10-3-4-11(2)13(9-10)6-5-12-7-8-14(17)16-15(12)18;1-2/h3-4,9,12H,5-8H2,1-2H3,(H,16,17,18);1-2H3
InChIKeyVFCMWGPPBHBIIZ-UHFFFAOYSA-N
XLogP3.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,5-dimethylphenyl)ethyl]piperidine-2,6-dione;ethane?
The IUPAC name of 3-[2-(2,5-dimethylphenyl)ethyl]piperidine-2,6-dione;ethane (CID 161281215) is 3-[2-(2,5-dimethylphenyl)ethyl]piperidine-2,6-dione;ethane.
What is the SMILES notation for 3-[2-(2,5-dimethylphenyl)ethyl]piperidine-2,6-dione;ethane?
The canonical SMILES for 3-[2-(2,5-dimethylphenyl)ethyl]piperidine-2,6-dione;ethane is CC.Cc1ccc(C)c(CCC2CCC(=O)NC2=O)c1.
What is the InChIKey of 3-[2-(2,5-dimethylphenyl)ethyl]piperidine-2,6-dione;ethane?
The InChIKey is VFCMWGPPBHBIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2.C2H6/c1-10-3-4-11(2)13(9-10)6-5-12-7-8-14(17)16-15(12)18;1-2/h3-4,9,12H,5-8H2,1-2H3,(H,16,17,18);1-2H3.
What are the key properties of 3-[2-(2,5-dimethylphenyl)ethyl]piperidine-2,6-dione;ethane?
3-[2-(2,5-dimethylphenyl)ethyl]piperidine-2,6-dione;ethane has a molecular weight of 275.39 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,5-dimethylphenyl)ethyl]piperidine-2,6-dione;ethane is sourced from PubChem (CID 161281215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).