3-(2-acetyl-4-methylphenoxy)piperidine-2,6-dione

C14H15NO4 — CID 146573435

IUPAC3-(2-acetyl-4-methylphenoxy)piperidine-2,6-dione
SMILESCC(=O)c1cc(C)ccc1OC1CCC(=O)NC1=O
InChIInChI=1S/C14H15NO4/c1-8-3-4-11(10(7-8)9(2)16)19-12-5-6-13(17)15-14(12)18/h3-4,7,12H,5-6H2,1-2H3,(H,15,17,18)
InChIKeyKHRJALMPQLIOJR-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.38
Rot. Bonds3

About 3-(2-acetyl-4-methylphenoxy)piperidine-2,6-dione

3-(2-acetyl-4-methylphenoxy)piperidine-2,6-dione (PubChem CID 146573435) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-(2-acetyl-4-methylphenoxy)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(2-acetyl-4-methylphenoxy)piperidine-2,6-dione
PubChem CID146573435
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name3-(2-acetyl-4-methylphenoxy)piperidine-2,6-dione
SMILESCC(=O)c1cc(C)ccc1OC1CCC(=O)NC1=O
InChIInChI=1S/C14H15NO4/c1-8-3-4-11(10(7-8)9(2)16)19-12-5-6-13(17)15-14(12)18/h3-4,7,12H,5-6H2,1-2H3,(H,15,17,18)
InChIKeyKHRJALMPQLIOJR-UHFFFAOYSA-N
XLogP1.38
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2-acetyl-4-methylphenoxy)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 3-(2-acetyl-4-methylphenoxy)piperidine-2,6-dione?
The IUPAC name of 3-(2-acetyl-4-methylphenoxy)piperidine-2,6-dione (CID 146573435) is 3-(2-acetyl-4-methylphenoxy)piperidine-2,6-dione.
What is the SMILES notation for 3-(2-acetyl-4-methylphenoxy)piperidine-2,6-dione?
The canonical SMILES for 3-(2-acetyl-4-methylphenoxy)piperidine-2,6-dione is CC(=O)c1cc(C)ccc1OC1CCC(=O)NC1=O.
What is the InChIKey of 3-(2-acetyl-4-methylphenoxy)piperidine-2,6-dione?
The InChIKey is KHRJALMPQLIOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-8-3-4-11(10(7-8)9(2)16)19-12-5-6-13(17)15-14(12)18/h3-4,7,12H,5-6H2,1-2H3,(H,15,17,18).
What are the key properties of 3-(2-acetyl-4-methylphenoxy)piperidine-2,6-dione?
3-(2-acetyl-4-methylphenoxy)piperidine-2,6-dione has a molecular weight of 261.28 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-acetyl-4-methylphenoxy)piperidine-2,6-dione is sourced from PubChem (CID 146573435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).