1-(4-ethylpiperazin-1-yl)-2-(4-phenoxyphenyl)ethanone

C20H24N2O2 — CID 110768049

IUPAC1-(4-ethylpiperazin-1-yl)-2-(4-phenoxyphenyl)ethanone
SMILESCCN1CCN(C(=O)Cc2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C20H24N2O2/c1-2-21-12-14-22(15-13-21)20(23)16-17-8-10-19(11-9-17)24-18-6-4-3-5-7-18/h3-11H,2,12-16H2,1H3
InChIKeyCFZYPEZOWJEMGM-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.19
Rot. Bonds5

About 1-(4-ethylpiperazin-1-yl)-2-(4-phenoxyphenyl)ethanone

1-(4-ethylpiperazin-1-yl)-2-(4-phenoxyphenyl)ethanone (PubChem CID 110768049) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-2-(4-phenoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-2-(4-phenoxyphenyl)ethanone
PubChem CID110768049
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-(4-ethylpiperazin-1-yl)-2-(4-phenoxyphenyl)ethanone
SMILESCCN1CCN(C(=O)Cc2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C20H24N2O2/c1-2-21-12-14-22(15-13-21)20(23)16-17-8-10-19(11-9-17)24-18-6-4-3-5-7-18/h3-11H,2,12-16H2,1H3
InChIKeyCFZYPEZOWJEMGM-UHFFFAOYSA-N
XLogP3.19
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(4-phenoxyphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110799885
1-[4-[2-(4-phenoxyphenyl)acetyl]piperazin-1-yl]butan-1-one
CID 110800125
1-morpholin-4-yl-2-(4-phenoxyphenyl)ethanone
CID 110768044
methyl 4-[2-(4-phenoxyphenyl)acetyl]-1,4-diazepane-1-carboxylate
CID 110808860
2-(4-tert-butylphenyl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 110766836
1-(4-ethylpiperazin-1-yl)-2-(4-methylsulfanylphenyl)ethanone
CID 110771210
1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazin-1-yl]-2-phenylethanone
CID 59140034
1-[4-[2-(4-ethoxyphenyl)acetyl]-1,4-diazepan-1-yl]-2-phenylethanone
CID 108545578
2-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]phenyl]isoindole-1,3-dione
CID 110343473
1-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 121038220
2-(4-ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 55461138
1-(4-pentylpiperazin-1-yl)-2-phenylethanone
CID 113075097

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-(4-phenoxyphenyl)ethanone?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-(4-phenoxyphenyl)ethanone (CID 110768049) is 1-(4-ethylpiperazin-1-yl)-2-(4-phenoxyphenyl)ethanone.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-2-(4-phenoxyphenyl)ethanone?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-2-(4-phenoxyphenyl)ethanone is CCN1CCN(C(=O)Cc2ccc(Oc3ccccc3)cc2)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-2-(4-phenoxyphenyl)ethanone?
The InChIKey is CFZYPEZOWJEMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-2-21-12-14-22(15-13-21)20(23)16-17-8-10-19(11-9-17)24-18-6-4-3-5-7-18/h3-11H,2,12-16H2,1H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-2-(4-phenoxyphenyl)ethanone?
1-(4-ethylpiperazin-1-yl)-2-(4-phenoxyphenyl)ethanone has a molecular weight of 324.42 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-2-(4-phenoxyphenyl)ethanone is sourced from PubChem (CID 110768049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).