1-(4-ethylpiperazin-1-yl)-2-[2-(4-methoxyphenoxy)ethylamino]ethanone

C17H27N3O3 — CID 108995589

IUPAC1-(4-ethylpiperazin-1-yl)-2-[2-(4-methoxyphenoxy)ethylamino]ethanone
SMILESCCN1CCN(C(=O)CNCCOc2ccc(OC)cc2)CC1
InChIInChI=1S/C17H27N3O3/c1-3-19-9-11-20(12-10-19)17(21)14-18-8-13-23-16-6-4-15(22-2)5-7-16/h4-7,18H,3,8-14H2,1-2H3
InChIKeyPHBOHJVIBCVCRH-UHFFFAOYSA-N
MW321.42 g/mol
LogP0.83
Rot. Bonds8

About 1-(4-ethylpiperazin-1-yl)-2-[2-(4-methoxyphenoxy)ethylamino]ethanone

1-(4-ethylpiperazin-1-yl)-2-[2-(4-methoxyphenoxy)ethylamino]ethanone (PubChem CID 108995589) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-2-[2-(4-methoxyphenoxy)ethylamino]ethanone.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-2-[2-(4-methoxyphenoxy)ethylamino]ethanone
PubChem CID108995589
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name1-(4-ethylpiperazin-1-yl)-2-[2-(4-methoxyphenoxy)ethylamino]ethanone
SMILESCCN1CCN(C(=O)CNCCOc2ccc(OC)cc2)CC1
InChIInChI=1S/C17H27N3O3/c1-3-19-9-11-20(12-10-19)17(21)14-18-8-13-23-16-6-4-15(22-2)5-7-16/h4-7,18H,3,8-14H2,1-2H3
InChIKeyPHBOHJVIBCVCRH-UHFFFAOYSA-N
XLogP0.83
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-acetylpiperazin-1-yl)-3-[2-(4-methoxyphenoxy)ethylamino]propan-1-one
CID 109018152
4-methoxy-N-[2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]ethyl]benzamide
CID 119883434
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(propylamino)ethanone
CID 60648289
3-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)-3-oxopropanamide
CID 108944606
1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-3-methylbutan-1-one
CID 113074770
4-ethyl-N-[2-(4-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide
CID 112972518
1-(2,3-dihydroindol-1-yl)-2-[2-(4-methoxyphenoxy)ethylamino]ethanone
CID 109005214
1-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)pentane-1,5-dione
CID 110298179
N-butan-2-yl-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
CID 113104323
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-phenoxypropanamide
CID 110287178
4-butoxy-N-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 38321399
1-(4-ethylpiperazin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 3440273

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-[2-(4-methoxyphenoxy)ethylamino]ethanone?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-[2-(4-methoxyphenoxy)ethylamino]ethanone (CID 108995589) is 1-(4-ethylpiperazin-1-yl)-2-[2-(4-methoxyphenoxy)ethylamino]ethanone.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-2-[2-(4-methoxyphenoxy)ethylamino]ethanone?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-2-[2-(4-methoxyphenoxy)ethylamino]ethanone is CCN1CCN(C(=O)CNCCOc2ccc(OC)cc2)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-2-[2-(4-methoxyphenoxy)ethylamino]ethanone?
The InChIKey is PHBOHJVIBCVCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-3-19-9-11-20(12-10-19)17(21)14-18-8-13-23-16-6-4-15(22-2)5-7-16/h4-7,18H,3,8-14H2,1-2H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-2-[2-(4-methoxyphenoxy)ethylamino]ethanone?
1-(4-ethylpiperazin-1-yl)-2-[2-(4-methoxyphenoxy)ethylamino]ethanone has a molecular weight of 321.42 g/mol, XLogP of 0.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-2-[2-(4-methoxyphenoxy)ethylamino]ethanone is sourced from PubChem (CID 108995589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).