2-(4-ethoxyphenyl)-1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]ethanone

C23H30N2O3 — CID 110412322

IUPAC2-(4-ethoxyphenyl)-1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]ethanone
SMILESCCOc1ccc(CC(=O)N2CCN(CCc3cccc(OC)c3)CC2)cc1
InChIInChI=1S/C23H30N2O3/c1-3-28-21-9-7-20(8-10-21)18-23(26)25-15-13-24(14-16-25)12-11-19-5-4-6-22(17-19)27-2/h4-10,17H,3,11-16,18H2,1-2H3
InChIKeyJBYZXYODKURUMC-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.02
Rot. Bonds8

About 2-(4-ethoxyphenyl)-1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]ethanone

2-(4-ethoxyphenyl)-1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]ethanone (PubChem CID 110412322) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]ethanone
PubChem CID110412322
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name2-(4-ethoxyphenyl)-1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]ethanone
SMILESCCOc1ccc(CC(=O)N2CCN(CCc3cccc(OC)c3)CC2)cc1
InChIInChI=1S/C23H30N2O3/c1-3-28-21-9-7-20(8-10-21)18-23(26)25-15-13-24(14-16-25)12-11-19-5-4-6-22(17-19)27-2/h4-10,17H,3,11-16,18H2,1-2H3
InChIKeyJBYZXYODKURUMC-UHFFFAOYSA-N
XLogP3.02
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-ethoxyphenyl)-1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chlorophenoxy)-1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]ethanone
CID 110602062
1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]pentan-1-one
CID 110412296
1-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 113074361
2-(3-methoxyphenyl)-1-(4-propyl-1,4-diazepan-1-yl)ethanone
CID 56822423
1-[4-[3-(3-methoxyphenyl)propyl]piperazin-1-yl]propan-1-one
CID 110358226
ethyl 2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetate
CID 134032771
2-(4-ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 55461138
2-(4-chlorophenyl)-1-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]ethanone
CID 113074346
1-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 110412088
N-[2-[4-[2-(4-ethoxyphenyl)acetyl]piperazin-1-yl]ethyl]-4-methoxybenzamide
CID 29207412
1-[4-[2-(4-ethoxyphenyl)acetyl]-1,4-diazepan-1-yl]-2-phenylethanone
CID 108545578
[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]-phenylmethanone
CID 110602055

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-ethoxyphenyl)-1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]ethanone (CID 110412322) is 2-(4-ethoxyphenyl)-1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-ethoxyphenyl)-1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-ethoxyphenyl)-1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]ethanone is CCOc1ccc(CC(=O)N2CCN(CCc3cccc(OC)c3)CC2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]ethanone?
The InChIKey is JBYZXYODKURUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-3-28-21-9-7-20(8-10-21)18-23(26)25-15-13-24(14-16-25)12-11-19-5-4-6-22(17-19)27-2/h4-10,17H,3,11-16,18H2,1-2H3.
What are the key properties of 2-(4-ethoxyphenyl)-1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]ethanone?
2-(4-ethoxyphenyl)-1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]ethanone has a molecular weight of 382.50 g/mol, XLogP of 3.02, 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-(3-methoxyphenyl)ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 110412322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).