4-(4-methoxy-3-methylphenyl)-3-propan-2-ylpiperidine-2,6-dione

C16H21NO3 — CID 79320166

IUPAC4-(4-methoxy-3-methylphenyl)-3-propan-2-ylpiperidine-2,6-dione
SMILESCOc1ccc(C2CC(=O)NC(=O)C2C(C)C)cc1C
InChIInChI=1S/C16H21NO3/c1-9(2)15-12(8-14(18)17-16(15)19)11-5-6-13(20-4)10(3)7-11/h5-7,9,12,15H,8H2,1-4H3,(H,17,18,19)
InChIKeyQOIAXUOKDBIQLS-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.41
Rot. Bonds3

About 4-(4-methoxy-3-methylphenyl)-3-propan-2-ylpiperidine-2,6-dione

4-(4-methoxy-3-methylphenyl)-3-propan-2-ylpiperidine-2,6-dione (PubChem CID 79320166) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-(4-methoxy-3-methylphenyl)-3-propan-2-ylpiperidine-2,6-dione.

Molecular Properties

Compound Name4-(4-methoxy-3-methylphenyl)-3-propan-2-ylpiperidine-2,6-dione
PubChem CID79320166
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name4-(4-methoxy-3-methylphenyl)-3-propan-2-ylpiperidine-2,6-dione
SMILESCOc1ccc(C2CC(=O)NC(=O)C2C(C)C)cc1C
InChIInChI=1S/C16H21NO3/c1-9(2)15-12(8-14(18)17-16(15)19)11-5-6-13(20-4)10(3)7-11/h5-7,9,12,15H,8H2,1-4H3,(H,17,18,19)
InChIKeyQOIAXUOKDBIQLS-UHFFFAOYSA-N
XLogP2.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(4-methoxy-3-methylphenyl)-3-propan-2-ylpiperidine-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

Related Compounds

3-(4-Methoxyphenyl)-4-methyl-1-(piperidin-1-yl)pentan-1-one
CID 3751885
4-(4-Methoxyphenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile
CID 268228
3-(4-Propoxybenzyl)piperidine-2,6-dione
CID 5096405
3-[(4-Butoxyphenyl)methyl]piperidine-2,6-dione
CID 3125332
4-(4-Methoxyphenyl)piperidine-2,6-dione
CID 1915442
3-(4-Isopropoxy-benzyl)-1-methyl-piperidine-2,6-dione
CID 2835330
N-[2-(2-methoxy-5-phenylphenyl)ethyl]acetamide
CID 44350040
3-(4-Ethoxybenzyl)-2,6-piperidinedione
CID 2913314
3-(4-Octyloxy-phenyl)-pyrrolidine-2,5-dione
CID 3095543
3-(4-Isopropoxy-phenyl)-piperidine-2,6-dione
CID 3105273
3-[(4-Methoxyphenyl)methyl]piperidine-2,6-dione
CID 14531159
2-Piperidinone, 4-(4-methoxyphenyl)-3-phenyl-, cis-
CID 3065188

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-3-methylphenyl)-3-propan-2-ylpiperidine-2,6-dione?
The IUPAC name of 4-(4-methoxy-3-methylphenyl)-3-propan-2-ylpiperidine-2,6-dione (CID 79320166) is 4-(4-methoxy-3-methylphenyl)-3-propan-2-ylpiperidine-2,6-dione.
What is the SMILES notation for 4-(4-methoxy-3-methylphenyl)-3-propan-2-ylpiperidine-2,6-dione?
The canonical SMILES for 4-(4-methoxy-3-methylphenyl)-3-propan-2-ylpiperidine-2,6-dione is COc1ccc(C2CC(=O)NC(=O)C2C(C)C)cc1C.
What is the InChIKey of 4-(4-methoxy-3-methylphenyl)-3-propan-2-ylpiperidine-2,6-dione?
The InChIKey is QOIAXUOKDBIQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-9(2)15-12(8-14(18)17-16(15)19)11-5-6-13(20-4)10(3)7-11/h5-7,9,12,15H,8H2,1-4H3,(H,17,18,19).
What are the key properties of 4-(4-methoxy-3-methylphenyl)-3-propan-2-ylpiperidine-2,6-dione?
4-(4-methoxy-3-methylphenyl)-3-propan-2-ylpiperidine-2,6-dione has a molecular weight of 275.35 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-3-methylphenyl)-3-propan-2-ylpiperidine-2,6-dione is sourced from PubChem (CID 79320166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).