3-(4-ethoxy-2,5-dimethylphenyl)piperidin-2-one

C15H21NO2 — CID 82130957

IUPAC3-(4-ethoxy-2,5-dimethylphenyl)piperidin-2-one
SMILESCCOc1cc(C)c(C2CCCNC2=O)cc1C
InChIInChI=1S/C15H21NO2/c1-4-18-14-9-10(2)13(8-11(14)3)12-6-5-7-16-15(12)17/h8-9,12H,4-7H2,1-3H3,(H,16,17)
InChIKeyIJNDOKJEENQYAF-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.70
Rot. Bonds3

About 3-(4-ethoxy-2,5-dimethylphenyl)piperidin-2-one

3-(4-ethoxy-2,5-dimethylphenyl)piperidin-2-one (PubChem CID 82130957) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-(4-ethoxy-2,5-dimethylphenyl)piperidin-2-one.

Molecular Properties

Compound Name3-(4-ethoxy-2,5-dimethylphenyl)piperidin-2-one
PubChem CID82130957
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-(4-ethoxy-2,5-dimethylphenyl)piperidin-2-one
SMILESCCOc1cc(C)c(C2CCCNC2=O)cc1C
InChIInChI=1S/C15H21NO2/c1-4-18-14-9-10(2)13(8-11(14)3)12-6-5-7-16-15(12)17/h8-9,12H,4-7H2,1-3H3,(H,16,17)
InChIKeyIJNDOKJEENQYAF-UHFFFAOYSA-N
XLogP2.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-ethoxy-2,5-dimethylphenyl)piperidin-2-one 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

4-(4-ethoxy-2,5-dimethylphenyl)azepane
CID 82296026
3-(2,3,5,6-tetramethylphenyl)piperidin-2-one
CID 82128738
2-(4-ethoxy-2,5-dimethylphenyl)morpholine
CID 82116655
3-[(3-ethoxy-4-hydroxyphenyl)methylamino]piperidin-2-one
CID 62092103
4-(5-chloro-4-ethoxy-2-methylphenyl)azepane
CID 82304982
3-(4-ethoxy-3-fluoroanilino)azepan-2-one
CID 115589008
1-ethoxy-4-ethyl-2,5-dimethylbenzene
CID 84761080
3-[1-(2-ethoxyphenyl)ethylamino]piperidin-2-one
CID 62092472
cyclobutyl-(4-ethoxy-2,5-dimethylphenyl)methanol
CID 82049139
3-amino-4-ethoxy-N-(2-oxopiperidin-3-yl)benzamide
CID 62094346
3-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]piperidin-2-one
CID 62094486
3-(2-methylphenyl)pyrrolidin-2-one
CID 71758474

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxy-2,5-dimethylphenyl)piperidin-2-one?
The IUPAC name of 3-(4-ethoxy-2,5-dimethylphenyl)piperidin-2-one (CID 82130957) is 3-(4-ethoxy-2,5-dimethylphenyl)piperidin-2-one.
What is the SMILES notation for 3-(4-ethoxy-2,5-dimethylphenyl)piperidin-2-one?
The canonical SMILES for 3-(4-ethoxy-2,5-dimethylphenyl)piperidin-2-one is CCOc1cc(C)c(C2CCCNC2=O)cc1C.
What is the InChIKey of 3-(4-ethoxy-2,5-dimethylphenyl)piperidin-2-one?
The InChIKey is IJNDOKJEENQYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-4-18-14-9-10(2)13(8-11(14)3)12-6-5-7-16-15(12)17/h8-9,12H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 3-(4-ethoxy-2,5-dimethylphenyl)piperidin-2-one?
3-(4-ethoxy-2,5-dimethylphenyl)piperidin-2-one has a molecular weight of 247.34 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxy-2,5-dimethylphenyl)piperidin-2-one is sourced from PubChem (CID 82130957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).