2,6-bis(4-methoxyphenyl)-1-methylpiperidin-4-one

C20H23NO3 — CID 14047057

IUPAC2,6-bis(4-methoxyphenyl)-1-methylpiperidin-4-one
SMILESCOc1ccc(C2CC(=O)CC(c3ccc(OC)cc3)N2C)cc1
InChIInChI=1S/C20H23NO3/c1-21-19(14-4-8-17(23-2)9-5-14)12-16(22)13-20(21)15-6-10-18(24-3)11-7-15/h4-11,19-20H,12-13H2,1-3H3
InChIKeyXHLMLMBGYLHBDE-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.78
Rot. Bonds4

About 2,6-bis(4-methoxyphenyl)-1-methylpiperidin-4-one

2,6-bis(4-methoxyphenyl)-1-methylpiperidin-4-one (PubChem CID 14047057) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2,6-bis(4-methoxyphenyl)-1-methylpiperidin-4-one.

Molecular Properties

Compound Name2,6-bis(4-methoxyphenyl)-1-methylpiperidin-4-one
PubChem CID14047057
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name2,6-bis(4-methoxyphenyl)-1-methylpiperidin-4-one
SMILESCOc1ccc(C2CC(=O)CC(c3ccc(OC)cc3)N2C)cc1
InChIInChI=1S/C20H23NO3/c1-21-19(14-4-8-17(23-2)9-5-14)12-16(22)13-20(21)15-6-10-18(24-3)11-7-15/h4-11,19-20H,12-13H2,1-3H3
InChIKeyXHLMLMBGYLHBDE-UHFFFAOYSA-N
XLogP3.78
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenyl)-1,3-dimethylimidazolidin-2-one
CID 116982870
(2S)-2-(4-methoxyphenyl)-1-methylpyrrolidine
CID 92850085
4-(4-methoxyphenyl)-1-methylpyrrolidin-2-one
CID 18361933
6-(4-methoxyphenyl)-1-methylpiperazin-2-one
CID 83707128
5-bromo-3-(4-methoxyphenyl)-2-methyl-3,4-dihydropyrazole
CID 84712363
5-amino-4-(4-methoxyphenyl)-1-methylpiperidin-2-one
CID 83540319
2-[4-(4-methoxyphenoxy)phenyl]-1-methylpyrrolidine
CID 54238454
3-(4-methoxyphenyl)cyclopentan-1-one
CID 14090910
(1R,5R)-8-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-one
CID 98116144
3-(4-methoxyphenyl)-5-propylidenecyclohexan-1-one
CID 143312154
1-(2-hydroxyethyl)-5-(4-methoxyphenyl)imidazolidin-2-one
CID 105497638
1-ethyl-5-(4-methoxyphenyl)pyrrolidin-2-one
CID 141398583

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-methoxyphenyl)-1-methylpiperidin-4-one?
The IUPAC name of 2,6-bis(4-methoxyphenyl)-1-methylpiperidin-4-one (CID 14047057) is 2,6-bis(4-methoxyphenyl)-1-methylpiperidin-4-one.
What is the SMILES notation for 2,6-bis(4-methoxyphenyl)-1-methylpiperidin-4-one?
The canonical SMILES for 2,6-bis(4-methoxyphenyl)-1-methylpiperidin-4-one is COc1ccc(C2CC(=O)CC(c3ccc(OC)cc3)N2C)cc1.
What is the InChIKey of 2,6-bis(4-methoxyphenyl)-1-methylpiperidin-4-one?
The InChIKey is XHLMLMBGYLHBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-21-19(14-4-8-17(23-2)9-5-14)12-16(22)13-20(21)15-6-10-18(24-3)11-7-15/h4-11,19-20H,12-13H2,1-3H3.
What are the key properties of 2,6-bis(4-methoxyphenyl)-1-methylpiperidin-4-one?
2,6-bis(4-methoxyphenyl)-1-methylpiperidin-4-one has a molecular weight of 325.41 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-methoxyphenyl)-1-methylpiperidin-4-one is sourced from PubChem (CID 14047057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).