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

C21H26N2O3 — CID 1317425

IUPAC2-(2,5-dimethylphenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1N1CCN(C(=O)COc2cc(C)ccc2C)CC1
InChIInChI=1S/C21H26N2O3/c1-16-8-9-17(2)20(14-16)26-15-21(24)23-12-10-22(11-13-23)18-6-4-5-7-19(18)25-3/h4-9,14H,10-13,15H2,1-3H3
InChIKeyINDHELSGWZMGLX-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.04
Rot. Bonds5

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

2-(2,5-dimethylphenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 1317425) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
PubChem CID1317425
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-(2,5-dimethylphenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1N1CCN(C(=O)COc2cc(C)ccc2C)CC1
InChIInChI=1S/C21H26N2O3/c1-16-8-9-17(2)20(14-16)26-15-21(24)23-12-10-22(11-13-23)18-6-4-5-7-19(18)25-3/h4-9,14H,10-13,15H2,1-3H3
InChIKeyINDHELSGWZMGLX-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-(2,5-dimethylphenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2,5-dimethylphenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone (CID 1317425) is 2-(2,5-dimethylphenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone is COc1ccccc1N1CCN(C(=O)COc2cc(C)ccc2C)CC1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is INDHELSGWZMGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-16-8-9-17(2)20(14-16)26-15-21(24)23-12-10-22(11-13-23)18-6-4-5-7-19(18)25-3/h4-9,14H,10-13,15H2,1-3H3.
What are the key properties of 2-(2,5-dimethylphenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
2-(2,5-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-(2,5-dimethylphenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 1317425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).