3-[4-[[4-[2-(4-methoxyphenyl)ethoxy]phenyl]methyl]piperazin-1-yl]prop-2-enal

C23H28N2O3 — CID 123968146

IUPAC3-[4-[[4-[2-(4-methoxyphenyl)ethoxy]phenyl]methyl]piperazin-1-yl]prop-2-enal
SMILESCOc1ccc(CCOc2ccc(CN3CCN(C=CC=O)CC3)cc2)cc1
InChIInChI=1S/C23H28N2O3/c1-27-22-7-3-20(4-8-22)11-18-28-23-9-5-21(6-10-23)19-25-15-13-24(14-16-25)12-2-17-26/h2-10,12,17H,11,13-16,18-19H2,1H3
InChIKeyMEWKNXADDQEOEA-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.15
Rot. Bonds9

About 3-[4-[[4-[2-(4-methoxyphenyl)ethoxy]phenyl]methyl]piperazin-1-yl]prop-2-enal

3-[4-[[4-[2-(4-methoxyphenyl)ethoxy]phenyl]methyl]piperazin-1-yl]prop-2-enal (PubChem CID 123968146) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 3-[4-[[4-[2-(4-methoxyphenyl)ethoxy]phenyl]methyl]piperazin-1-yl]prop-2-enal.

Molecular Properties

Compound Name3-[4-[[4-[2-(4-methoxyphenyl)ethoxy]phenyl]methyl]piperazin-1-yl]prop-2-enal
PubChem CID123968146
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name3-[4-[[4-[2-(4-methoxyphenyl)ethoxy]phenyl]methyl]piperazin-1-yl]prop-2-enal
SMILESCOc1ccc(CCOc2ccc(CN3CCN(C=CC=O)CC3)cc2)cc1
InChIInChI=1S/C23H28N2O3/c1-27-22-7-3-20(4-8-22)11-18-28-23-9-5-21(6-10-23)19-25-15-13-24(14-16-25)12-2-17-26/h2-10,12,17H,11,13-16,18-19H2,1H3
InChIKeyMEWKNXADDQEOEA-UHFFFAOYSA-N
XLogP3.15
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[4-[[4-[2-(4-methoxyphenyl)ethoxy]phenyl]methyl]piperazin-1-yl]prop-2-enal 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

1-[[4-[2-(4-methoxyphenoxy)ethyl]phenyl]methyl]-4-phenylpiperazine
CID 155537825
1-[(4-ethoxyphenyl)methyl]-4-[2-(4-methoxyphenoxy)ethyl]piperazine
CID 141313696
4-[[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]benzamide
CID 30737845
1-[[4-(2-phenylethoxy)phenyl]methyl]piperidine
CID 15952241
1,4,7-tris[(4-methoxyphenyl)methyl]-1,4,7-triazecane
CID 66887441
1-[4-[[4-[2-(4-methylphenoxy)ethyl]phenyl]methyl]piperazin-1-yl]prop-2-en-1-one
CID 154462336
1-methoxy-4-(2-phenylethoxy)benzene
CID 101213669
4-[[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]benzonitrile
CID 9398842
1-[[4-[2-(3-methoxyphenoxy)ethyl]phenyl]methyl]piperazine
CID 67327483
3-[4-[[4-(2-phenylethoxy)phenyl]methyl]piperazin-1-yl]propanenitrile
CID 54856483
bis[4-[(4-propoxyphenyl)methyl]piperazin-1-yl]methanone
CID 151375895
1-[2-(4-methoxyphenoxy)ethyl]-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine
CID 30746046

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[4-[2-(4-methoxyphenyl)ethoxy]phenyl]methyl]piperazin-1-yl]prop-2-enal?
The IUPAC name of 3-[4-[[4-[2-(4-methoxyphenyl)ethoxy]phenyl]methyl]piperazin-1-yl]prop-2-enal (CID 123968146) is 3-[4-[[4-[2-(4-methoxyphenyl)ethoxy]phenyl]methyl]piperazin-1-yl]prop-2-enal.
What is the SMILES notation for 3-[4-[[4-[2-(4-methoxyphenyl)ethoxy]phenyl]methyl]piperazin-1-yl]prop-2-enal?
The canonical SMILES for 3-[4-[[4-[2-(4-methoxyphenyl)ethoxy]phenyl]methyl]piperazin-1-yl]prop-2-enal is COc1ccc(CCOc2ccc(CN3CCN(C=CC=O)CC3)cc2)cc1.
What is the InChIKey of 3-[4-[[4-[2-(4-methoxyphenyl)ethoxy]phenyl]methyl]piperazin-1-yl]prop-2-enal?
The InChIKey is MEWKNXADDQEOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-27-22-7-3-20(4-8-22)11-18-28-23-9-5-21(6-10-23)19-25-15-13-24(14-16-25)12-2-17-26/h2-10,12,17H,11,13-16,18-19H2,1H3.
What are the key properties of 3-[4-[[4-[2-(4-methoxyphenyl)ethoxy]phenyl]methyl]piperazin-1-yl]prop-2-enal?
3-[4-[[4-[2-(4-methoxyphenyl)ethoxy]phenyl]methyl]piperazin-1-yl]prop-2-enal has a molecular weight of 380.49 g/mol, XLogP of 3.15, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[4-[2-(4-methoxyphenyl)ethoxy]phenyl]methyl]piperazin-1-yl]prop-2-enal is sourced from PubChem (CID 123968146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).