2-(3-methoxyphenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone

C17H22N4O3 — CID 120879016

IUPAC2-(3-methoxyphenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
SMILESCOc1cccc(OCC(=O)N2CCNCC2c2nccn2C)c1
InChIInChI=1S/C17H22N4O3/c1-20-8-7-19-17(20)15-11-18-6-9-21(15)16(22)12-24-14-5-3-4-13(10-14)23-2/h3-5,7-8,10,15,18H,6,9,11-12H2,1-2H3
InChIKeyJAAKJEOPNPCQLH-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.98
Rot. Bonds5

About 2-(3-methoxyphenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone

2-(3-methoxyphenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone (PubChem CID 120879016) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
PubChem CID120879016
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name2-(3-methoxyphenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
SMILESCOc1cccc(OCC(=O)N2CCNCC2c2nccn2C)c1
InChIInChI=1S/C17H22N4O3/c1-20-8-7-19-17(20)15-11-18-6-9-21(15)16(22)12-24-14-5-3-4-13(10-14)23-2/h3-5,7-8,10,15,18H,6,9,11-12H2,1-2H3
InChIKeyJAAKJEOPNPCQLH-UHFFFAOYSA-N
XLogP0.98
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-chlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
CID 120879486
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone;hydrochloride
CID 120879981
2-(3,4-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120880841
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-(3-methylphenoxy)propan-1-one;hydrochloride
CID 120880193
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone;hydrochloride
CID 120878807
1-(4-methoxyphenyl)-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]butane-1,4-dione
CID 120877364
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(2-phenylphenoxy)ethanone
CID 120879746
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(3-propan-2-yloxyphenyl)ethanone;hydrochloride
CID 120878511
2-(2-methoxyphenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120878371
2-(6-methoxy-1-benzofuran-3-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
CID 120880664
2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120877319
N-(3-methoxyphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120870377

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(3-methoxyphenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone (CID 120879016) is 2-(3-methoxyphenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3-methoxyphenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3-methoxyphenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone is COc1cccc(OCC(=O)N2CCNCC2c2nccn2C)c1.
What is the InChIKey of 2-(3-methoxyphenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone?
The InChIKey is JAAKJEOPNPCQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-20-8-7-19-17(20)15-11-18-6-9-21(15)16(22)12-24-14-5-3-4-13(10-14)23-2/h3-5,7-8,10,15,18H,6,9,11-12H2,1-2H3.
What are the key properties of 2-(3-methoxyphenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone?
2-(3-methoxyphenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone has a molecular weight of 330.39 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 120879016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).