2-(2-methoxy-4-prop-2-enylphenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone

C20H26N4O3 — CID 120877878

IUPAC2-(2-methoxy-4-prop-2-enylphenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
SMILESC=CCc1ccc(OCC(=O)N2CCNCC2c2nccn2C)c(OC)c1
InChIInChI=1S/C20H26N4O3/c1-4-5-15-6-7-17(18(12-15)26-3)27-14-19(25)24-11-8-21-13-16(24)20-22-9-10-23(20)2/h4,6-7,9-10,12,16,21H,1,5,8,11,13-14H2,2-3H3
InChIKeyFYYOPKDIGGZOSJ-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.71
Rot. Bonds7

About 2-(2-methoxy-4-prop-2-enylphenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone

2-(2-methoxy-4-prop-2-enylphenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone (PubChem CID 120877878) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-(2-methoxy-4-prop-2-enylphenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methoxy-4-prop-2-enylphenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
PubChem CID120877878
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name2-(2-methoxy-4-prop-2-enylphenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
SMILESC=CCc1ccc(OCC(=O)N2CCNCC2c2nccn2C)c(OC)c1
InChIInChI=1S/C20H26N4O3/c1-4-5-15-6-7-17(18(12-15)26-3)27-14-19(25)24-11-8-21-13-16(24)20-22-9-10-23(20)2/h4,6-7,9-10,12,16,21H,1,5,8,11,13-14H2,2-3H3
InChIKeyFYYOPKDIGGZOSJ-UHFFFAOYSA-N
XLogP1.71
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(3-methoxyphenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
CID 120879016
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(2-phenylphenoxy)ethanone
CID 120879746
[3-methoxy-4-(2-methylpropoxy)phenyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120879936
2-(2-methoxyphenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120878371
1-(2,3-dimethylpiperazin-1-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)ethanone;hydrochloride
CID 120570765
2-(3,4-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120880841
(2-fluoro-4,5-dimethoxyphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120879795
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone;hydrochloride
CID 120879981
2-(3-chlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
CID 120879486
3-(2-methoxyphenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120880881
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
CID 120879066
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone;hydrochloride
CID 120878807

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-prop-2-enylphenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-methoxy-4-prop-2-enylphenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone (CID 120877878) is 2-(2-methoxy-4-prop-2-enylphenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methoxy-4-prop-2-enylphenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-methoxy-4-prop-2-enylphenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone is C=CCc1ccc(OCC(=O)N2CCNCC2c2nccn2C)c(OC)c1.
What is the InChIKey of 2-(2-methoxy-4-prop-2-enylphenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone?
The InChIKey is FYYOPKDIGGZOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-4-5-15-6-7-17(18(12-15)26-3)27-14-19(25)24-11-8-21-13-16(24)20-22-9-10-23(20)2/h4,6-7,9-10,12,16,21H,1,5,8,11,13-14H2,2-3H3.
What are the key properties of 2-(2-methoxy-4-prop-2-enylphenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone?
2-(2-methoxy-4-prop-2-enylphenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone has a molecular weight of 370.45 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-prop-2-enylphenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 120877878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).