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

C24H25N5 — CID 150795225

IUPAC4-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
SMILESN#Cc1ccc(N2CCN(CCCCc3c(C#N)ccc4[nH]ccc34)CC2)cc1
InChIInChI=1S/C24H25N5/c25-17-19-4-7-21(8-5-19)29-15-13-28(14-16-29)12-2-1-3-22-20(18-26)6-9-24-23(22)10-11-27-24/h4-11,27H,1-3,12-16H2
InChIKeyKERRETXUDOVMPI-UHFFFAOYSA-N
MW383.50 g/mol
LogP4.06
Rot. Bonds6

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

4-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile (PubChem CID 150795225) has the molecular formula C24H25N5 and a molecular weight of 383.50 g/mol. Its IUPAC name is 4-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name4-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
PubChem CID150795225
Molecular FormulaC24H25N5
Molecular Weight383.50 g/mol
Exact Mass383.21
IUPAC Name4-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
SMILESN#Cc1ccc(N2CCN(CCCCc3c(C#N)ccc4[nH]ccc34)CC2)cc1
InChIInChI=1S/C24H25N5/c25-17-19-4-7-21(8-5-19)29-15-13-28(14-16-29)12-2-1-3-22-20(18-26)6-9-24-23(22)10-11-27-24/h4-11,27H,1-3,12-16H2
InChIKeyKERRETXUDOVMPI-UHFFFAOYSA-N
XLogP4.06
TPSA69.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid
CID 19936443
3-[4-[4-(3-cyano-4-hydroxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
CID 11751791
4-[4-[5-(4-cyanophenoxy)pentyl]piperazin-1-yl]benzonitrile
CID 67131816
3-[4-[4-(2-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
CID 10293352
3-[4-[4-[4-methyl-3-[2-(methylamino)ethyl]phenyl]piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
CID 141055672
3-[5-[4-[4-(3,5-difluoro-2-oxo-1-pyridinyl)phenyl]piperazin-1-yl]pentyl]-1H-indole-5-carbonitrile
CID 118190898
3-[4-[4-[4-(1-oxoisoquinolin-2-yl)phenyl]piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
CID 118190937
3-[3-[4-[4-[(3-cyano-2-pyridinyl)sulfanyl]phenyl]piperazin-1-yl]propyl]-1H-indole-5-carbonitrile
CID 118499056
methyl 4-[4-(4-cyanophenyl)piperazin-1-yl]butanoate
CID 177042407
3-[4-[4-(2,4-dihydroxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
CID 57229461
2-[4-[4-(1H-indol-4-yl)piperazin-1-yl]butoxy]benzonitrile
CID 172837364
3-[4-[4-(2-benzofuran-5-yl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile;oxamide;hydrochloride
CID 141371465

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile?
The IUPAC name of 4-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile (CID 150795225) is 4-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile.
What is the SMILES notation for 4-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile?
The canonical SMILES for 4-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile is N#Cc1ccc(N2CCN(CCCCc3c(C#N)ccc4[nH]ccc34)CC2)cc1.
What is the InChIKey of 4-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile?
The InChIKey is KERRETXUDOVMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5/c25-17-19-4-7-21(8-5-19)29-15-13-28(14-16-29)12-2-1-3-22-20(18-26)6-9-24-23(22)10-11-27-24/h4-11,27H,1-3,12-16H2.
What are the key properties of 4-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile?
4-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile has a molecular weight of 383.50 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile is sourced from PubChem (CID 150795225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).