1-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]indole-5-carbonitrile

C24H25N5 — CID 69489009

IUPAC1-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]indole-5-carbonitrile
SMILESN#Cc1ccc(N2CCN(CCCCn3ccc4cc(C#N)ccc43)CC2)cc1
InChIInChI=1S/C24H25N5/c25-18-20-3-6-23(7-4-20)28-15-13-27(14-16-28)10-1-2-11-29-12-9-22-17-21(19-26)5-8-24(22)29/h3-9,12,17H,1-2,10-11,13-16H2
InChIKeyBXYCOBXNJMHQFN-UHFFFAOYSA-N
MW383.50 g/mol
LogP3.99
Rot. Bonds6

About 1-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]indole-5-carbonitrile

1-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]indole-5-carbonitrile (PubChem CID 69489009) has the molecular formula C24H25N5 and a molecular weight of 383.50 g/mol. Its IUPAC name is 1-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]indole-5-carbonitrile.

Molecular Properties

Compound Name1-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]indole-5-carbonitrile
PubChem CID69489009
Molecular FormulaC24H25N5
Molecular Weight383.50 g/mol
Exact Mass383.21
IUPAC Name1-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]indole-5-carbonitrile
SMILESN#Cc1ccc(N2CCN(CCCCn3ccc4cc(C#N)ccc43)CC2)cc1
InChIInChI=1S/C24H25N5/c25-18-20-3-6-23(7-4-20)28-15-13-27(14-16-28)10-1-2-11-29-12-9-22-17-21(19-26)5-8-24(22)29/h3-9,12,17H,1-2,10-11,13-16H2
InChIKeyBXYCOBXNJMHQFN-UHFFFAOYSA-N
XLogP3.99
TPSA58.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]indole-5-carbonitrile 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 1-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]indole-5-carbonitrile?
The IUPAC name of 1-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]indole-5-carbonitrile (CID 69489009) is 1-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]indole-5-carbonitrile.
What is the SMILES notation for 1-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]indole-5-carbonitrile?
The canonical SMILES for 1-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]indole-5-carbonitrile is N#Cc1ccc(N2CCN(CCCCn3ccc4cc(C#N)ccc43)CC2)cc1.
What is the InChIKey of 1-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]indole-5-carbonitrile?
The InChIKey is BXYCOBXNJMHQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5/c25-18-20-3-6-23(7-4-20)28-15-13-27(14-16-28)10-1-2-11-29-12-9-22-17-21(19-26)5-8-24(22)29/h3-9,12,17H,1-2,10-11,13-16H2.
What are the key properties of 1-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]indole-5-carbonitrile?
1-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]indole-5-carbonitrile has a molecular weight of 383.50 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]indole-5-carbonitrile is sourced from PubChem (CID 69489009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).