ethane;3-(4-propan-2-ylanilino)piperidine-2,6-dione

C16H24N2O2 — CID 170749152

IUPACethane;3-(4-propan-2-ylanilino)piperidine-2,6-dione
SMILESCC.CC(C)c1ccc(NC2CCC(=O)NC2=O)cc1
InChIInChI=1S/C14H18N2O2.C2H6/c1-9(2)10-3-5-11(6-4-10)15-12-7-8-13(17)16-14(12)18;1-2/h3-6,9,12,15H,7-8H2,1-2H3,(H,16,17,18);1-2H3
InChIKeyIJSLCIHDIQXVQL-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.05
Rot. Bonds3

About ethane;3-(4-propan-2-ylanilino)piperidine-2,6-dione

ethane;3-(4-propan-2-ylanilino)piperidine-2,6-dione (PubChem CID 170749152) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is ethane;3-(4-propan-2-ylanilino)piperidine-2,6-dione.

Molecular Properties

Compound Nameethane;3-(4-propan-2-ylanilino)piperidine-2,6-dione
PubChem CID170749152
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Nameethane;3-(4-propan-2-ylanilino)piperidine-2,6-dione
SMILESCC.CC(C)c1ccc(NC2CCC(=O)NC2=O)cc1
InChIInChI=1S/C14H18N2O2.C2H6/c1-9(2)10-3-5-11(6-4-10)15-12-7-8-13(17)16-14(12)18;1-2/h3-6,9,12,15H,7-8H2,1-2H3,(H,16,17,18);1-2H3
InChIKeyIJSLCIHDIQXVQL-UHFFFAOYSA-N
XLogP3.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;3-(4-propan-2-ylanilino)piperidine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;3-(4-propan-2-ylanilino)piperidine-2,6-dione?
The IUPAC name of ethane;3-(4-propan-2-ylanilino)piperidine-2,6-dione (CID 170749152) is ethane;3-(4-propan-2-ylanilino)piperidine-2,6-dione.
What is the SMILES notation for ethane;3-(4-propan-2-ylanilino)piperidine-2,6-dione?
The canonical SMILES for ethane;3-(4-propan-2-ylanilino)piperidine-2,6-dione is CC.CC(C)c1ccc(NC2CCC(=O)NC2=O)cc1.
What is the InChIKey of ethane;3-(4-propan-2-ylanilino)piperidine-2,6-dione?
The InChIKey is IJSLCIHDIQXVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2.C2H6/c1-9(2)10-3-5-11(6-4-10)15-12-7-8-13(17)16-14(12)18;1-2/h3-6,9,12,15H,7-8H2,1-2H3,(H,16,17,18);1-2H3.
What are the key properties of ethane;3-(4-propan-2-ylanilino)piperidine-2,6-dione?
ethane;3-(4-propan-2-ylanilino)piperidine-2,6-dione has a molecular weight of 276.38 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(4-propan-2-ylanilino)piperidine-2,6-dione is sourced from PubChem (CID 170749152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).