4-(4-methoxyphenyl)-1-(piperazin-1-ylmethyl)indole

C20H23N3O — CID 67661726

IUPAC4-(4-methoxyphenyl)-1-(piperazin-1-ylmethyl)indole
SMILESCOc1ccc(-c2cccc3c2ccn3CN2CCNCC2)cc1
InChIInChI=1S/C20H23N3O/c1-24-17-7-5-16(6-8-17)18-3-2-4-20-19(18)9-12-23(20)15-22-13-10-21-11-14-22/h2-9,12,21H,10-11,13-15H2,1H3
InChIKeyCPCLASJWQWDHBE-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.18
Rot. Bonds4

About 4-(4-methoxyphenyl)-1-(piperazin-1-ylmethyl)indole

4-(4-methoxyphenyl)-1-(piperazin-1-ylmethyl)indole (PubChem CID 67661726) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1-(piperazin-1-ylmethyl)indole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1-(piperazin-1-ylmethyl)indole
PubChem CID67661726
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name4-(4-methoxyphenyl)-1-(piperazin-1-ylmethyl)indole
SMILESCOc1ccc(-c2cccc3c2ccn3CN2CCNCC2)cc1
InChIInChI=1S/C20H23N3O/c1-24-17-7-5-16(6-8-17)18-3-2-4-20-19(18)9-12-23(20)15-22-13-10-21-11-14-22/h2-9,12,21H,10-11,13-15H2,1H3
InChIKeyCPCLASJWQWDHBE-UHFFFAOYSA-N
XLogP3.18
TPSA29.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-methoxyphenyl)-1-(piperazin-1-ylmethyl)indole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1-(piperazin-1-ylmethyl)indole?
The IUPAC name of 4-(4-methoxyphenyl)-1-(piperazin-1-ylmethyl)indole (CID 67661726) is 4-(4-methoxyphenyl)-1-(piperazin-1-ylmethyl)indole.
What is the SMILES notation for 4-(4-methoxyphenyl)-1-(piperazin-1-ylmethyl)indole?
The canonical SMILES for 4-(4-methoxyphenyl)-1-(piperazin-1-ylmethyl)indole is COc1ccc(-c2cccc3c2ccn3CN2CCNCC2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1-(piperazin-1-ylmethyl)indole?
The InChIKey is CPCLASJWQWDHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-24-17-7-5-16(6-8-17)18-3-2-4-20-19(18)9-12-23(20)15-22-13-10-21-11-14-22/h2-9,12,21H,10-11,13-15H2,1H3.
What are the key properties of 4-(4-methoxyphenyl)-1-(piperazin-1-ylmethyl)indole?
4-(4-methoxyphenyl)-1-(piperazin-1-ylmethyl)indole has a molecular weight of 321.42 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1-(piperazin-1-ylmethyl)indole is sourced from PubChem (CID 67661726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).