2-(4-ethoxyphenyl)-1-[4-[2-(4-ethylphenyl)-2-oxoethyl]piperazin-1-yl]ethanone

C24H30N2O3 — CID 110366779

IUPAC2-(4-ethoxyphenyl)-1-[4-[2-(4-ethylphenyl)-2-oxoethyl]piperazin-1-yl]ethanone
SMILESCCOc1ccc(CC(=O)N2CCN(CC(=O)c3ccc(CC)cc3)CC2)cc1
InChIInChI=1S/C24H30N2O3/c1-3-19-5-9-21(10-6-19)23(27)18-25-13-15-26(16-14-25)24(28)17-20-7-11-22(12-8-20)29-4-2/h5-12H,3-4,13-18H2,1-2H3
InChIKeyOSIBOWQRRGLCEG-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.22
Rot. Bonds8

About 2-(4-ethoxyphenyl)-1-[4-[2-(4-ethylphenyl)-2-oxoethyl]piperazin-1-yl]ethanone

2-(4-ethoxyphenyl)-1-[4-[2-(4-ethylphenyl)-2-oxoethyl]piperazin-1-yl]ethanone (PubChem CID 110366779) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-1-[4-[2-(4-ethylphenyl)-2-oxoethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-1-[4-[2-(4-ethylphenyl)-2-oxoethyl]piperazin-1-yl]ethanone
PubChem CID110366779
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name2-(4-ethoxyphenyl)-1-[4-[2-(4-ethylphenyl)-2-oxoethyl]piperazin-1-yl]ethanone
SMILESCCOc1ccc(CC(=O)N2CCN(CC(=O)c3ccc(CC)cc3)CC2)cc1
InChIInChI=1S/C24H30N2O3/c1-3-19-5-9-21(10-6-19)23(27)18-25-13-15-26(16-14-25)24(28)17-20-7-11-22(12-8-20)29-4-2/h5-12H,3-4,13-18H2,1-2H3
InChIKeyOSIBOWQRRGLCEG-UHFFFAOYSA-N
XLogP3.22
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylphenyl)-2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 110366791
2-(4-ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 55461138
1-(4-aminopiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone
CID 82365897
2-(4-ethoxyphenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone
CID 6465047
2-(4-ethoxyphenyl)-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]ethanone
CID 95348538
ethyl 4-[2-(4-ethoxyphenyl)acetyl]piperazine-1-carboxylate
CID 78784884
1-[4-[2-(4-ethoxyphenyl)acetyl]-1,4-diazepan-1-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 108546051
1-[4-[2-(4-ethoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 108547166
1-[4-[2-(4-ethoxyphenyl)acetyl]-1,4-diazepan-1-yl]-2-phenylethanone
CID 108545578
2-(4-ethoxyphenyl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone
CID 108569229
ethyl 4-[2-(4-ethoxyphenyl)acetyl]-1,4-diazepane-1-carboxylate
CID 110808925
N-[2-[4-[2-(4-ethoxyphenyl)acetyl]piperazin-1-yl]ethyl]-4-methoxybenzamide
CID 29207412

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-1-[4-[2-(4-ethylphenyl)-2-oxoethyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-ethoxyphenyl)-1-[4-[2-(4-ethylphenyl)-2-oxoethyl]piperazin-1-yl]ethanone (CID 110366779) is 2-(4-ethoxyphenyl)-1-[4-[2-(4-ethylphenyl)-2-oxoethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-ethoxyphenyl)-1-[4-[2-(4-ethylphenyl)-2-oxoethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-ethoxyphenyl)-1-[4-[2-(4-ethylphenyl)-2-oxoethyl]piperazin-1-yl]ethanone is CCOc1ccc(CC(=O)N2CCN(CC(=O)c3ccc(CC)cc3)CC2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-1-[4-[2-(4-ethylphenyl)-2-oxoethyl]piperazin-1-yl]ethanone?
The InChIKey is OSIBOWQRRGLCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-3-19-5-9-21(10-6-19)23(27)18-25-13-15-26(16-14-25)24(28)17-20-7-11-22(12-8-20)29-4-2/h5-12H,3-4,13-18H2,1-2H3.
What are the key properties of 2-(4-ethoxyphenyl)-1-[4-[2-(4-ethylphenyl)-2-oxoethyl]piperazin-1-yl]ethanone?
2-(4-ethoxyphenyl)-1-[4-[2-(4-ethylphenyl)-2-oxoethyl]piperazin-1-yl]ethanone has a molecular weight of 394.52 g/mol, XLogP of 3.22, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-1-[4-[2-(4-ethylphenyl)-2-oxoethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 110366779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).