2,6-bis(2-methoxyphenyl)-3,5-dimethylpiperidin-4-one

C21H25NO3 — CID 4063456

IUPAC2,6-bis(2-methoxyphenyl)-3,5-dimethylpiperidin-4-one
SMILESCOc1ccccc1C1NC(c2ccccc2OC)C(C)C(=O)C1C
InChIInChI=1S/C21H25NO3/c1-13-19(15-9-5-7-11-17(15)24-3)22-20(14(2)21(13)23)16-10-6-8-12-18(16)25-4/h5-14,19-20,22H,1-4H3
InChIKeyNLSCCGAGHJFEOU-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.93
Rot. Bonds4

About 2,6-bis(2-methoxyphenyl)-3,5-dimethylpiperidin-4-one

2,6-bis(2-methoxyphenyl)-3,5-dimethylpiperidin-4-one (PubChem CID 4063456) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2,6-bis(2-methoxyphenyl)-3,5-dimethylpiperidin-4-one.

Molecular Properties

Compound Name2,6-bis(2-methoxyphenyl)-3,5-dimethylpiperidin-4-one
PubChem CID4063456
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name2,6-bis(2-methoxyphenyl)-3,5-dimethylpiperidin-4-one
SMILESCOc1ccccc1C1NC(c2ccccc2OC)C(C)C(=O)C1C
InChIInChI=1S/C21H25NO3/c1-13-19(15-9-5-7-11-17(15)24-3)22-20(14(2)21(13)23)16-10-6-8-12-18(16)25-4/h5-14,19-20,22H,1-4H3
InChIKeyNLSCCGAGHJFEOU-UHFFFAOYSA-N
XLogP3.93
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(2-methoxyphenyl)-3,5-dimethylpiperidin-4-one?
The IUPAC name of 2,6-bis(2-methoxyphenyl)-3,5-dimethylpiperidin-4-one (CID 4063456) is 2,6-bis(2-methoxyphenyl)-3,5-dimethylpiperidin-4-one.
What is the SMILES notation for 2,6-bis(2-methoxyphenyl)-3,5-dimethylpiperidin-4-one?
The canonical SMILES for 2,6-bis(2-methoxyphenyl)-3,5-dimethylpiperidin-4-one is COc1ccccc1C1NC(c2ccccc2OC)C(C)C(=O)C1C.
What is the InChIKey of 2,6-bis(2-methoxyphenyl)-3,5-dimethylpiperidin-4-one?
The InChIKey is NLSCCGAGHJFEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-13-19(15-9-5-7-11-17(15)24-3)22-20(14(2)21(13)23)16-10-6-8-12-18(16)25-4/h5-14,19-20,22H,1-4H3.
What are the key properties of 2,6-bis(2-methoxyphenyl)-3,5-dimethylpiperidin-4-one?
2,6-bis(2-methoxyphenyl)-3,5-dimethylpiperidin-4-one has a molecular weight of 339.44 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(2-methoxyphenyl)-3,5-dimethylpiperidin-4-one is sourced from PubChem (CID 4063456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).