1-[4-[2-(4-ethoxyphenoxy)ethyl]piperazin-1-yl]ethanone

C16H24N2O3 — CID 78789869

IUPAC1-[4-[2-(4-ethoxyphenoxy)ethyl]piperazin-1-yl]ethanone
SMILESCCOc1ccc(OCCN2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C16H24N2O3/c1-3-20-15-4-6-16(7-5-15)21-13-12-17-8-10-18(11-9-17)14(2)19/h4-7H,3,8-13H2,1-2H3
InChIKeyXDKGNUDZYVBAIN-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.63
Rot. Bonds6

About 1-[4-[2-(4-ethoxyphenoxy)ethyl]piperazin-1-yl]ethanone

1-[4-[2-(4-ethoxyphenoxy)ethyl]piperazin-1-yl]ethanone (PubChem CID 78789869) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[4-[2-(4-ethoxyphenoxy)ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(4-ethoxyphenoxy)ethyl]piperazin-1-yl]ethanone
PubChem CID78789869
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-[4-[2-(4-ethoxyphenoxy)ethyl]piperazin-1-yl]ethanone
SMILESCCOc1ccc(OCCN2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C16H24N2O3/c1-3-20-15-4-6-16(7-5-15)21-13-12-17-8-10-18(11-9-17)14(2)19/h4-7H,3,8-13H2,1-2H3
InChIKeyXDKGNUDZYVBAIN-UHFFFAOYSA-N
XLogP1.63
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethoxyphenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 71571371
4-[2-(4-acetylpiperazin-1-yl)ethoxy]benzenecarbothioamide
CID 43290386
1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine
CID 803619
1-[4-[2-(4-ethoxyphenoxy)ethyl]piperazin-1-yl]-4,4-dimethylpentan-2-one
CID 20994853
3-(4-ethoxyphenyl)-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]propan-1-one
CID 67299157
1-[4-[3-(4-benzoylphenoxy)propyl]piperazin-1-yl]ethanone
CID 59372963
[4-(2-bromoethyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone
CID 80661218
N-(4-ethoxyphenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide
CID 9259318
2-ethyl-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]butan-1-one
CID 110638341
1-[(4-ethoxyphenyl)methyl]-4-[2-(4-methoxyphenoxy)ethyl]piperazine
CID 141313696
2-(4-ethoxyphenyl)-1-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]ethanone
CID 110638301
2-(4-acetylpiperazin-1-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide
CID 108508300

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-ethoxyphenoxy)ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(4-ethoxyphenoxy)ethyl]piperazin-1-yl]ethanone (CID 78789869) is 1-[4-[2-(4-ethoxyphenoxy)ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(4-ethoxyphenoxy)ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(4-ethoxyphenoxy)ethyl]piperazin-1-yl]ethanone is CCOc1ccc(OCCN2CCN(C(C)=O)CC2)cc1.
What is the InChIKey of 1-[4-[2-(4-ethoxyphenoxy)ethyl]piperazin-1-yl]ethanone?
The InChIKey is XDKGNUDZYVBAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-20-15-4-6-16(7-5-15)21-13-12-17-8-10-18(11-9-17)14(2)19/h4-7H,3,8-13H2,1-2H3.
What are the key properties of 1-[4-[2-(4-ethoxyphenoxy)ethyl]piperazin-1-yl]ethanone?
1-[4-[2-(4-ethoxyphenoxy)ethyl]piperazin-1-yl]ethanone has a molecular weight of 292.38 g/mol, XLogP of 1.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-ethoxyphenoxy)ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 78789869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).