2-(2-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone

C19H22N2O3 — CID 823385

IUPAC2-(2-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCOc1ccccc1OCC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H22N2O3/c1-23-17-9-5-6-10-18(17)24-15-19(22)21-13-11-20(12-14-21)16-7-3-2-4-8-16/h2-10H,11-15H2,1H3
InChIKeyRNSJEGSPSJYNOZ-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.42
Rot. Bonds5

About 2-(2-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone

2-(2-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 823385) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID823385
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-(2-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCOc1ccccc1OCC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H22N2O3/c1-23-17-9-5-6-10-18(17)24-15-19(22)21-13-11-20(12-14-21)16-7-3-2-4-8-16/h2-10H,11-15H2,1H3
InChIKeyRNSJEGSPSJYNOZ-UHFFFAOYSA-N
XLogP2.42
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenoxy)-1-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]ethanone
CID 113078931
2-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]-2-oxoacetic acid
CID 2050367
1-[4-(2-ethylphenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 113075819
4-[2-(2-methoxyphenoxy)acetyl]piperazine-1-carbothioamide
CID 2050365
1-[4-[2-(2-ethoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 108546426
2-(3-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 56698277
2-(2-methoxyphenoxy)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone
CID 113073699
1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 46454717
2-(2-chlorophenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 2677305
2-(4-ethoxyphenoxy)-1-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108536870
2,2,2-trifluoro-1-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108533450
2-(2-methoxyphenoxy)-1-[4-(1-phenylethyl)piperazin-1-yl]ethanone
CID 113074011

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone (CID 823385) is 2-(2-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone is COc1ccccc1OCC(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(2-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is RNSJEGSPSJYNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-23-17-9-5-6-10-18(17)24-15-19(22)21-13-11-20(12-14-21)16-7-3-2-4-8-16/h2-10H,11-15H2,1H3.
What are the key properties of 2-(2-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone?
2-(2-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 326.40 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 823385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).