3,5-diethyl-2,6-diphenylpiperidin-4-one

C21H25NO — CID 2729797

IUPAC3,5-diethyl-2,6-diphenylpiperidin-4-one
SMILESCCC1C(=O)C(CC)C(c2ccccc2)NC1c1ccccc1
InChIInChI=1S/C21H25NO/c1-3-17-19(15-11-7-5-8-12-15)22-20(18(4-2)21(17)23)16-13-9-6-10-14-16/h5-14,17-20,22H,3-4H2,1-2H3
InChIKeyUWLZKFVZABBKHL-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.69
Rot. Bonds4

About 3,5-diethyl-2,6-diphenylpiperidin-4-one

3,5-diethyl-2,6-diphenylpiperidin-4-one (PubChem CID 2729797) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 3,5-diethyl-2,6-diphenylpiperidin-4-one.

Molecular Properties

Compound Name3,5-diethyl-2,6-diphenylpiperidin-4-one
PubChem CID2729797
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name3,5-diethyl-2,6-diphenylpiperidin-4-one
SMILESCCC1C(=O)C(CC)C(c2ccccc2)NC1c1ccccc1
InChIInChI=1S/C21H25NO/c1-3-17-19(15-11-7-5-8-12-15)22-20(18(4-2)21(17)23)16-13-9-6-10-14-16/h5-14,17-20,22H,3-4H2,1-2H3
InChIKeyUWLZKFVZABBKHL-UHFFFAOYSA-N
XLogP4.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-2,6-diphenylpiperidin-4-one?
The IUPAC name of 3,5-diethyl-2,6-diphenylpiperidin-4-one (CID 2729797) is 3,5-diethyl-2,6-diphenylpiperidin-4-one.
What is the SMILES notation for 3,5-diethyl-2,6-diphenylpiperidin-4-one?
The canonical SMILES for 3,5-diethyl-2,6-diphenylpiperidin-4-one is CCC1C(=O)C(CC)C(c2ccccc2)NC1c1ccccc1.
What is the InChIKey of 3,5-diethyl-2,6-diphenylpiperidin-4-one?
The InChIKey is UWLZKFVZABBKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-3-17-19(15-11-7-5-8-12-15)22-20(18(4-2)21(17)23)16-13-9-6-10-14-16/h5-14,17-20,22H,3-4H2,1-2H3.
What are the key properties of 3,5-diethyl-2,6-diphenylpiperidin-4-one?
3,5-diethyl-2,6-diphenylpiperidin-4-one has a molecular weight of 307.44 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-2,6-diphenylpiperidin-4-one is sourced from PubChem (CID 2729797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).