2-[3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]pyrrol-1-yl]benzonitrile

C23H24N4O — CID 11617668

IUPAC2-[3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]pyrrol-1-yl]benzonitrile
SMILESCOc1ccccc1N1CCN(Cc2ccn(-c3ccccc3C#N)c2)CC1
InChIInChI=1S/C23H24N4O/c1-28-23-9-5-4-8-22(23)26-14-12-25(13-15-26)17-19-10-11-27(18-19)21-7-3-2-6-20(21)16-24/h2-11,18H,12-15,17H2,1H3
InChIKeyZWXPEPNHGUBVMQ-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.68
Rot. Bonds5

About 2-[3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]pyrrol-1-yl]benzonitrile

2-[3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]pyrrol-1-yl]benzonitrile (PubChem CID 11617668) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-[3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]pyrrol-1-yl]benzonitrile.

Molecular Properties

Compound Name2-[3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]pyrrol-1-yl]benzonitrile
PubChem CID11617668
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name2-[3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]pyrrol-1-yl]benzonitrile
SMILESCOc1ccccc1N1CCN(Cc2ccn(-c3ccccc3C#N)c2)CC1
InChIInChI=1S/C23H24N4O/c1-28-23-9-5-4-8-22(23)26-14-12-25(13-15-26)17-19-10-11-27(18-19)21-7-3-2-6-20(21)16-24/h2-11,18H,12-15,17H2,1H3
InChIKeyZWXPEPNHGUBVMQ-UHFFFAOYSA-N
XLogP3.68
TPSA44.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]pyrrol-1-yl]benzonitrile 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

3-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole-5-carbonitrile
CID 11464427
1-(2-Ethoxyphenyl)-4-(3-pyridinylmethyl)piperazine
CID 792584
1-(2-Methoxy-phenyl)-4-(1-phenyl-1H-pyrrol-3-ylmethyl)-piperazine
CID 10450375
1-(2-Methoxy-phenyl)-4-(1-methyl-5-phenyl-1H-pyrrol-2-ylmethyl)-piperazine
CID 44364142
3-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole
CID 10451368
1-(2-methoxyphenyl)-4-((1-o-tolyl-1H-pyrrol-3-yl)methyl)piperazine
CID 44388858
Piperazine, 1-(o-methoxyphenyl)-4-(2-(4-pyridyl)ethyl)-
CID 199288
3-{4-[4-(4-Cyano-2-methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole-5-carbonitrile
CID 11487741
1-[5-(4-Fluoro-phenyl)-1-methyl-1H-pyrrol-2-ylmethyl]-4-(2-methoxy-phenyl)-piperazine
CID 14198551
2-{2-(4-Fluoro-phenyl)-5-[4-(2-methoxy-phenyl)-piperazin-1-ylmethyl]-pyrrol-1-yl}-ethanol
CID 14198553
1-(1,5-Diphenyl-1H-pyrrol-2-ylmethyl)-4-(2-methoxy-phenyl)-piperazine
CID 14198554
1-[5-(4-Fluoro-phenyl)-1-propyl-1H-pyrrol-2-ylmethyl]-4-(2-methoxy-phenyl)-piperazine
CID 44300912

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]pyrrol-1-yl]benzonitrile?
The IUPAC name of 2-[3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]pyrrol-1-yl]benzonitrile (CID 11617668) is 2-[3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]pyrrol-1-yl]benzonitrile.
What is the SMILES notation for 2-[3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]pyrrol-1-yl]benzonitrile?
The canonical SMILES for 2-[3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]pyrrol-1-yl]benzonitrile is COc1ccccc1N1CCN(Cc2ccn(-c3ccccc3C#N)c2)CC1.
What is the InChIKey of 2-[3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]pyrrol-1-yl]benzonitrile?
The InChIKey is ZWXPEPNHGUBVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-28-23-9-5-4-8-22(23)26-14-12-25(13-15-26)17-19-10-11-27(18-19)21-7-3-2-6-20(21)16-24/h2-11,18H,12-15,17H2,1H3.
What are the key properties of 2-[3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]pyrrol-1-yl]benzonitrile?
2-[3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]pyrrol-1-yl]benzonitrile has a molecular weight of 372.47 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]pyrrol-1-yl]benzonitrile is sourced from PubChem (CID 11617668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).