2-(3,5-dimethylphenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone

C21H26N2O3 — CID 1357612

IUPAC2-(3,5-dimethylphenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1N1CCN(C(=O)COc2cc(C)cc(C)c2)CC1
InChIInChI=1S/C21H26N2O3/c1-16-12-17(2)14-18(13-16)26-15-21(24)23-10-8-22(9-11-23)19-6-4-5-7-20(19)25-3/h4-7,12-14H,8-11,15H2,1-3H3
InChIKeySULNUPZUYVQUJZ-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.04
Rot. Bonds5

About 2-(3,5-dimethylphenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone

2-(3,5-dimethylphenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 1357612) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
PubChem CID1357612
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-(3,5-dimethylphenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1N1CCN(C(=O)COc2cc(C)cc(C)c2)CC1
InChIInChI=1S/C21H26N2O3/c1-16-12-17(2)14-18(13-16)26-15-21(24)23-10-8-22(9-11-23)19-6-4-5-7-20(19)25-3/h4-7,12-14H,8-11,15H2,1-3H3
InChIKeySULNUPZUYVQUJZ-UHFFFAOYSA-N
XLogP3.04
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethylphenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone (CID 1357612) is 2-(3,5-dimethylphenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone is COc1ccccc1N1CCN(C(=O)COc2cc(C)cc(C)c2)CC1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is SULNUPZUYVQUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-16-12-17(2)14-18(13-16)26-15-21(24)23-10-8-22(9-11-23)19-6-4-5-7-20(19)25-3/h4-7,12-14H,8-11,15H2,1-3H3.
What are the key properties of 2-(3,5-dimethylphenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
2-(3,5-dimethylphenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 354.45 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 1357612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).