3-[4-[4-(2-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide

C24H27N5O — CID 11452383

IUPAC3-[4-[4-(2-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide
SMILESN#Cc1ccccc1N1CCN(CCCCc2c[nH]c3ccc(C(N)=O)cc23)CC1
InChIInChI=1S/C24H27N5O/c25-16-19-5-1-2-7-23(19)29-13-11-28(12-14-29)10-4-3-6-20-17-27-22-9-8-18(24(26)30)15-21(20)22/h1-2,5,7-9,15,17,27H,3-4,6,10-14H2,(H2,26,30)
InChIKeyHJQVFWPFCDCXRG-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.28
Rot. Bonds7

About 3-[4-[4-(2-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide

3-[4-[4-(2-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide (PubChem CID 11452383) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is 3-[4-[4-(2-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound Name3-[4-[4-(2-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide
PubChem CID11452383
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name3-[4-[4-(2-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide
SMILESN#Cc1ccccc1N1CCN(CCCCc2c[nH]c3ccc(C(N)=O)cc23)CC1
InChIInChI=1S/C24H27N5O/c25-16-19-5-1-2-7-23(19)29-13-11-28(12-14-29)10-4-3-6-20-17-27-22-9-8-18(24(26)30)15-21(20)22/h1-2,5,7-9,15,17,27H,3-4,6,10-14H2,(H2,26,30)
InChIKeyHJQVFWPFCDCXRG-UHFFFAOYSA-N
XLogP3.28
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[4-[4-(2-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-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 3-[4-[4-(2-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide?
The IUPAC name of 3-[4-[4-(2-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide (CID 11452383) is 3-[4-[4-(2-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide.
What is the SMILES notation for 3-[4-[4-(2-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide?
The canonical SMILES for 3-[4-[4-(2-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide is N#Cc1ccccc1N1CCN(CCCCc2c[nH]c3ccc(C(N)=O)cc23)CC1.
What is the InChIKey of 3-[4-[4-(2-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide?
The InChIKey is HJQVFWPFCDCXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c25-16-19-5-1-2-7-23(19)29-13-11-28(12-14-29)10-4-3-6-20-17-27-22-9-8-18(24(26)30)15-21(20)22/h1-2,5,7-9,15,17,27H,3-4,6,10-14H2,(H2,26,30).
What are the key properties of 3-[4-[4-(2-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide?
3-[4-[4-(2-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(2-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 11452383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).