1-(4-ethylphenyl)-2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethanone

C23H28N2O3 — CID 110366791

IUPAC1-(4-ethylphenyl)-2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethanone
SMILESCCc1ccc(C(=O)CN2CCN(C(=O)COc3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C23H28N2O3/c1-3-19-6-8-20(9-7-19)22(26)16-24-12-14-25(15-13-24)23(27)17-28-21-10-4-18(2)5-11-21/h4-11H,3,12-17H2,1-2H3
InChIKeyAWBXXYFFUADYPP-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.96
Rot. Bonds7

About 1-(4-ethylphenyl)-2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethanone

1-(4-ethylphenyl)-2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethanone (PubChem CID 110366791) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethanone
PubChem CID110366791
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name1-(4-ethylphenyl)-2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethanone
SMILESCCc1ccc(C(=O)CN2CCN(C(=O)COc3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C23H28N2O3/c1-3-19-6-8-20(9-7-19)22(26)16-24-12-14-25(15-13-24)23(27)17-28-21-10-4-18(2)5-11-21/h4-11H,3,12-17H2,1-2H3
InChIKeyAWBXXYFFUADYPP-UHFFFAOYSA-N
XLogP2.96
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 110358975
1-(4-methylphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone
CID 110366355
2-(4-ethoxyphenyl)-1-[4-[2-(4-ethylphenyl)-2-oxoethyl]piperazin-1-yl]ethanone
CID 110366779
1-(4-methoxyphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone
CID 110359047
1-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethoxy]phenyl]propan-1-one
CID 55372379
1-[4-[2-oxo-2-[4-[2-(4-propanoylphenoxy)acetyl]piperazin-1-yl]ethoxy]phenyl]propan-1-one
CID 17234094
1-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 108536873
1-[4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 110356972
1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone
CID 108533580
1-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-2-(4-propylphenoxy)ethanone
CID 108544009
1-[4-[2-(4-methylphenoxy)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110796458
2-(4-ethylphenoxy)-1-thiomorpholin-4-ylethanone
CID 143724139

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-(4-ethylphenyl)-2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethanone (CID 110366791) is 1-(4-ethylphenyl)-2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(4-ethylphenyl)-2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-(4-ethylphenyl)-2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethanone is CCc1ccc(C(=O)CN2CCN(C(=O)COc3ccc(C)cc3)CC2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethanone?
The InChIKey is AWBXXYFFUADYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-3-19-6-8-20(9-7-19)22(26)16-24-12-14-25(15-13-24)23(27)17-28-21-10-4-18(2)5-11-21/h4-11H,3,12-17H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethanone?
1-(4-ethylphenyl)-2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethanone has a molecular weight of 380.49 g/mol, XLogP of 2.96, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 110366791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).