1-ethyl-3,5-dimethyl-2,6-diphenylpiperidin-4-one

C21H25NO — CID 2862984

IUPAC1-ethyl-3,5-dimethyl-2,6-diphenylpiperidin-4-one
SMILESCCN1C(c2ccccc2)C(C)C(=O)C(C)C1c1ccccc1
InChIInChI=1S/C21H25NO/c1-4-22-19(17-11-7-5-8-12-17)15(2)21(23)16(3)20(22)18-13-9-6-10-14-18/h5-16,19-20H,4H2,1-3H3
InChIKeySFCJAXKHIYXCGG-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.65
Rot. Bonds3

About 1-ethyl-3,5-dimethyl-2,6-diphenylpiperidin-4-one

1-ethyl-3,5-dimethyl-2,6-diphenylpiperidin-4-one (PubChem CID 2862984) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-ethyl-3,5-dimethyl-2,6-diphenylpiperidin-4-one.

Molecular Properties

Compound Name1-ethyl-3,5-dimethyl-2,6-diphenylpiperidin-4-one
PubChem CID2862984
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name1-ethyl-3,5-dimethyl-2,6-diphenylpiperidin-4-one
SMILESCCN1C(c2ccccc2)C(C)C(=O)C(C)C1c1ccccc1
InChIInChI=1S/C21H25NO/c1-4-22-19(17-11-7-5-8-12-17)15(2)21(23)16(3)20(22)18-13-9-6-10-14-18/h5-16,19-20H,4H2,1-3H3
InChIKeySFCJAXKHIYXCGG-UHFFFAOYSA-N
XLogP4.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-ethyl-3,5-dimethyl-2,6-diphenylpiperidin-4-one 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 1-ethyl-3,5-dimethyl-2,6-diphenylpiperidin-4-one?
The IUPAC name of 1-ethyl-3,5-dimethyl-2,6-diphenylpiperidin-4-one (CID 2862984) is 1-ethyl-3,5-dimethyl-2,6-diphenylpiperidin-4-one.
What is the SMILES notation for 1-ethyl-3,5-dimethyl-2,6-diphenylpiperidin-4-one?
The canonical SMILES for 1-ethyl-3,5-dimethyl-2,6-diphenylpiperidin-4-one is CCN1C(c2ccccc2)C(C)C(=O)C(C)C1c1ccccc1.
What is the InChIKey of 1-ethyl-3,5-dimethyl-2,6-diphenylpiperidin-4-one?
The InChIKey is SFCJAXKHIYXCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-4-22-19(17-11-7-5-8-12-17)15(2)21(23)16(3)20(22)18-13-9-6-10-14-18/h5-16,19-20H,4H2,1-3H3.
What are the key properties of 1-ethyl-3,5-dimethyl-2,6-diphenylpiperidin-4-one?
1-ethyl-3,5-dimethyl-2,6-diphenylpiperidin-4-one has a molecular weight of 307.44 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-dimethyl-2,6-diphenylpiperidin-4-one is sourced from PubChem (CID 2862984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).