2-(4-ethyl-2-methoxyphenoxy)-1-piperazin-1-ylethanone

C15H22N2O3 — CID 107664987

IUPAC2-(4-ethyl-2-methoxyphenoxy)-1-piperazin-1-ylethanone
SMILESCCc1ccc(OCC(=O)N2CCNCC2)c(OC)c1
InChIInChI=1S/C15H22N2O3/c1-3-12-4-5-13(14(10-12)19-2)20-11-15(18)17-8-6-16-7-9-17/h4-5,10,16H,3,6-9,11H2,1-2H3
InChIKeyGSRPVGMKFZZEDN-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.07
Rot. Bonds5

About 2-(4-ethyl-2-methoxyphenoxy)-1-piperazin-1-ylethanone

2-(4-ethyl-2-methoxyphenoxy)-1-piperazin-1-ylethanone (PubChem CID 107664987) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(4-ethyl-2-methoxyphenoxy)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(4-ethyl-2-methoxyphenoxy)-1-piperazin-1-ylethanone
PubChem CID107664987
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-(4-ethyl-2-methoxyphenoxy)-1-piperazin-1-ylethanone
SMILESCCc1ccc(OCC(=O)N2CCNCC2)c(OC)c1
InChIInChI=1S/C15H22N2O3/c1-3-12-4-5-13(14(10-12)19-2)20-11-15(18)17-8-6-16-7-9-17/h4-5,10,16H,3,6-9,11H2,1-2H3
InChIKeyGSRPVGMKFZZEDN-UHFFFAOYSA-N
XLogP1.07
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-ethyl-2-methoxyphenyl)-1-piperazin-1-ylethanone
CID 82090895
2-(2,5-dibromo-4-methoxyphenoxy)-1-piperazin-1-ylethanone
CID 79403143
2-(4-amino-3-methoxyphenyl)-1-piperazin-1-ylethanone
CID 141462350
2-(3-bromo-4-methoxyphenyl)-1-piperazin-1-ylethanone
CID 82135497
1-(1,4-diazepan-1-yl)-2-(2,5-dibromo-4-methoxyphenoxy)ethanone
CID 79406188
3-(4-methoxy-3-methylphenyl)-1-piperazin-1-ylpropan-1-one
CID 82133342
N-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 95483224
1-[2-(2-bromo-4-ethylphenoxy)acetyl]piperidine-4-carboxylic acid
CID 54793766
2-[4-[(iodomethylamino)methyl]-2-methoxyphenoxy]-1-morpholin-4-ylethanone
CID 126537590
N,N-diethyl-2-(4-ethyl-2-methoxyphenoxy)acetamide
CID 154118386
2-(4-amino-2-methoxyphenoxy)-1-(azepan-1-yl)ethanone
CID 62110109
2-(5-fluoro-2-methoxyphenyl)-1-piperazin-1-ylethanone
CID 82087911

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2-methoxyphenoxy)-1-piperazin-1-ylethanone?
The IUPAC name of 2-(4-ethyl-2-methoxyphenoxy)-1-piperazin-1-ylethanone (CID 107664987) is 2-(4-ethyl-2-methoxyphenoxy)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(4-ethyl-2-methoxyphenoxy)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(4-ethyl-2-methoxyphenoxy)-1-piperazin-1-ylethanone is CCc1ccc(OCC(=O)N2CCNCC2)c(OC)c1.
What is the InChIKey of 2-(4-ethyl-2-methoxyphenoxy)-1-piperazin-1-ylethanone?
The InChIKey is GSRPVGMKFZZEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-12-4-5-13(14(10-12)19-2)20-11-15(18)17-8-6-16-7-9-17/h4-5,10,16H,3,6-9,11H2,1-2H3.
What are the key properties of 2-(4-ethyl-2-methoxyphenoxy)-1-piperazin-1-ylethanone?
2-(4-ethyl-2-methoxyphenoxy)-1-piperazin-1-ylethanone has a molecular weight of 278.35 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2-methoxyphenoxy)-1-piperazin-1-ylethanone is sourced from PubChem (CID 107664987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).