N-[4-[4-(3-cyanophenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide

C24H26N4O2 — CID 11596521

IUPACN-[4-[4-(3-cyanophenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide
SMILESN#Cc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1
InChIInChI=1S/C24H26N4O2/c25-18-19-6-5-8-21(16-19)28-14-12-27(13-15-28)11-4-3-10-26-24(29)23-17-20-7-1-2-9-22(20)30-23/h1-2,5-9,16-17H,3-4,10-15H2,(H,26,29)
InChIKeyAFUIBDRITZEBAF-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.64
Rot. Bonds7

About N-[4-[4-(3-cyanophenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide

N-[4-[4-(3-cyanophenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide (PubChem CID 11596521) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[4-[4-(3-cyanophenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(3-cyanophenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide
PubChem CID11596521
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC NameN-[4-[4-(3-cyanophenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide
SMILESN#Cc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1
InChIInChI=1S/C24H26N4O2/c25-18-19-6-5-8-21(16-19)28-14-12-27(13-15-28)11-4-3-10-26-24(29)23-17-20-7-1-2-9-22(20)30-23/h1-2,5-9,16-17H,3-4,10-15H2,(H,26,29)
InChIKeyAFUIBDRITZEBAF-UHFFFAOYSA-N
XLogP3.64
TPSA72.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-[4-(3-cyanophenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide 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 N-[4-[4-(3-cyanophenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-[4-(3-cyanophenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide (CID 11596521) is N-[4-[4-(3-cyanophenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-[4-(3-cyanophenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-[4-(3-cyanophenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide is N#Cc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1.
What is the InChIKey of N-[4-[4-(3-cyanophenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide?
The InChIKey is AFUIBDRITZEBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c25-18-19-6-5-8-21(16-19)28-14-12-27(13-15-28)11-4-3-10-26-24(29)23-17-20-7-1-2-9-22(20)30-23/h1-2,5-9,16-17H,3-4,10-15H2,(H,26,29).
What are the key properties of N-[4-[4-(3-cyanophenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide?
N-[4-[4-(3-cyanophenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-cyanophenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 11596521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).