2-(2,6-dimethylphenoxy)-1-[4-(4-methylbenzoyl)piperidin-1-yl]ethanone

C23H27NO3 — CID 55956198

IUPAC2-(2,6-dimethylphenoxy)-1-[4-(4-methylbenzoyl)piperidin-1-yl]ethanone
SMILESCc1ccc(C(=O)C2CCN(C(=O)COc3c(C)cccc3C)CC2)cc1
InChIInChI=1S/C23H27NO3/c1-16-7-9-19(10-8-16)22(26)20-11-13-24(14-12-20)21(25)15-27-23-17(2)5-4-6-18(23)3/h4-10,20H,11-15H2,1-3H3
InChIKeyWHUVTVXUTOTEIV-UHFFFAOYSA-N
MW365.47 g/mol
LogP4.11
Rot. Bonds5

About 2-(2,6-dimethylphenoxy)-1-[4-(4-methylbenzoyl)piperidin-1-yl]ethanone

2-(2,6-dimethylphenoxy)-1-[4-(4-methylbenzoyl)piperidin-1-yl]ethanone (PubChem CID 55956198) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-1-[4-(4-methylbenzoyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-1-[4-(4-methylbenzoyl)piperidin-1-yl]ethanone
PubChem CID55956198
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name2-(2,6-dimethylphenoxy)-1-[4-(4-methylbenzoyl)piperidin-1-yl]ethanone
SMILESCc1ccc(C(=O)C2CCN(C(=O)COc3c(C)cccc3C)CC2)cc1
InChIInChI=1S/C23H27NO3/c1-16-7-9-19(10-8-16)22(26)20-11-13-24(14-12-20)21(25)15-27-23-17(2)5-4-6-18(23)3/h4-10,20H,11-15H2,1-3H3
InChIKeyWHUVTVXUTOTEIV-UHFFFAOYSA-N
XLogP4.11
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-4-carboxylate
CID 9156670
2-(2,6-dimethylphenoxy)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 39363116
1-[4-(4-methylbenzoyl)piperidin-1-yl]-2-(4-propoxyphenoxy)ethanone
CID 60552317
1-(4-aminopiperidin-1-yl)-2-(2,6-dimethylphenoxy)ethanone;hydrochloride
CID 119376715
N-benzyl-1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-4-carboxamide
CID 26456516
8-methyl-3-[2-[4-(4-methylbenzoyl)piperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 55956332
N-(2,6-dimethylphenyl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide
CID 113006540
1-[4-(2,5-dimethylbenzoyl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 110394274
[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 2741000
2-(2,6-dimethylphenoxy)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 46445731
2-(3-methoxyphenyl)-1-[4-(4-methylbenzoyl)piperidin-1-yl]ethanone
CID 55955179
1-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-phenoxyethanone
CID 110394316

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-1-[4-(4-methylbenzoyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2,6-dimethylphenoxy)-1-[4-(4-methylbenzoyl)piperidin-1-yl]ethanone (CID 55956198) is 2-(2,6-dimethylphenoxy)-1-[4-(4-methylbenzoyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-1-[4-(4-methylbenzoyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-1-[4-(4-methylbenzoyl)piperidin-1-yl]ethanone is Cc1ccc(C(=O)C2CCN(C(=O)COc3c(C)cccc3C)CC2)cc1.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-1-[4-(4-methylbenzoyl)piperidin-1-yl]ethanone?
The InChIKey is WHUVTVXUTOTEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c1-16-7-9-19(10-8-16)22(26)20-11-13-24(14-12-20)21(25)15-27-23-17(2)5-4-6-18(23)3/h4-10,20H,11-15H2,1-3H3.
What are the key properties of 2-(2,6-dimethylphenoxy)-1-[4-(4-methylbenzoyl)piperidin-1-yl]ethanone?
2-(2,6-dimethylphenoxy)-1-[4-(4-methylbenzoyl)piperidin-1-yl]ethanone has a molecular weight of 365.47 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-1-[4-(4-methylbenzoyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 55956198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).