2-(4-Ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethanone

C23H30N2O3 — CID 55461138

IUPAC2-(4-ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethanone
SMILESCCOC1=CC=C(C=C1)CC(=O)N2CCN(CC2)CC3=CC=C(C=C3)OCC
InChIInChI=1S/C23H30N2O3/c1-3-27-21-9-5-19(6-10-21)17-23(26)25-15-13-24(14-16-25)18-20-7-11-22(12-8-20)28-4-2/h5-12H,3-4,13-18H2,1-2H3
InChIKeyYNUCSIMJUNBTRX-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.30
Rot. Bonds8

About 2-(4-Ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethanone

2-(4-Ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethanone (PubChem CID 55461138) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-Ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethanone
PubChem CID55461138
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name2-(4-ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethanone
SMILESCCOC1=CC=C(C=C1)CC(=O)N2CCN(CC2)CC3=CC=C(C=C3)OCC
InChIInChI=1S/C23H30N2O3/c1-3-27-21-9-5-19(6-10-21)17-23(26)25-15-13-24(14-16-25)18-20-7-11-22(12-8-20)28-4-2/h5-12H,3-4,13-18H2,1-2H3
InChIKeyYNUCSIMJUNBTRX-UHFFFAOYSA-N
XLogP3.30
TPSA42.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity449

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-Ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-Ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethanone (CID 55461138) is 2-(4-ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-Ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-Ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethanone is CCOC1=CC=C(C=C1)CC(=O)N2CCN(CC2)CC3=CC=C(C=C3)OCC.
What is the InChIKey of 2-(4-Ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethanone?
The InChIKey is YNUCSIMJUNBTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-3-27-21-9-5-19(6-10-21)17-23(26)25-15-13-24(14-16-25)18-20-7-11-22(12-8-20)28-4-2/h5-12H,3-4,13-18H2,1-2H3.
What are the key properties of 2-(4-Ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethanone?
2-(4-Ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethanone has a molecular weight of 382.50 g/mol, XLogP of 3.30, 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-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 55461138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).