4-[4-[5-(4-cyanophenoxy)pentyl]piperazin-1-yl]benzonitrile

C23H26N4O — CID 67131816

IUPAC4-[4-[5-(4-cyanophenoxy)pentyl]piperazin-1-yl]benzonitrile
SMILESN#Cc1ccc(OCCCCCN2CCN(c3ccc(C#N)cc3)CC2)cc1
InChIInChI=1S/C23H26N4O/c24-18-20-4-8-22(9-5-20)27-15-13-26(14-16-27)12-2-1-3-17-28-23-10-6-21(19-25)7-11-23/h4-11H,1-3,12-17H2
InChIKeyIUEZLSDMJIYHEO-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.80
Rot. Bonds8

About 4-[4-[5-(4-cyanophenoxy)pentyl]piperazin-1-yl]benzonitrile

4-[4-[5-(4-cyanophenoxy)pentyl]piperazin-1-yl]benzonitrile (PubChem CID 67131816) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 4-[4-[5-(4-cyanophenoxy)pentyl]piperazin-1-yl]benzonitrile.

Molecular Properties

Compound Name4-[4-[5-(4-cyanophenoxy)pentyl]piperazin-1-yl]benzonitrile
PubChem CID67131816
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name4-[4-[5-(4-cyanophenoxy)pentyl]piperazin-1-yl]benzonitrile
SMILESN#Cc1ccc(OCCCCCN2CCN(c3ccc(C#N)cc3)CC2)cc1
InChIInChI=1S/C23H26N4O/c24-18-20-4-8-22(9-5-20)27-15-13-26(14-16-27)12-2-1-3-17-28-23-10-6-21(19-25)7-11-23/h4-11H,1-3,12-17H2
InChIKeyIUEZLSDMJIYHEO-UHFFFAOYSA-N
XLogP3.80
TPSA63.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[4-[5-(4-cyanophenoxy)pentyl]piperazin-1-yl]benzonitrile with MolForge

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

Launch Full Analysis

Related Compounds

4-[4-[3-(4-cyanophenoxy)propyl]piperazin-1-yl]benzenesulfonamide
CID 78896382
4-(3-morpholin-4-ylpropoxy)benzonitrile
CID 2993836
4-[4-(2-methoxyethyl)piperazin-1-yl]benzonitrile
CID 131887743
4-(3-piperidin-1-ylpropoxy)benzonitrile
CID 2994072
4-[4-(4-methylpiperidin-1-yl)butoxy]benzonitrile;hydrochloride
CID 2993269
methyl 4-[4-(4-cyanophenyl)piperazin-1-yl]butanoate
CID 177042407
4-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]benzonitrile
CID 43581427
4-[3-[4-[4-(1-methylpiperidin-4-yl)butyl]piperazin-1-yl]propoxy]benzonitrile
CID 67131883
ethyl 4-[4-(4-octoxyphenyl)piperazin-1-yl]butanoate
CID 118389815
1-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]indole-5-carbonitrile
CID 69489009
1-(3-phenoxypropyl)-4-phenylpiperazine;hydrochloride
CID 53329616
4-[4-[7-[4-[4-[7-[4-(4-cyanophenyl)phenoxy]heptoxy]phenyl]phenoxy]heptoxy]phenyl]benzonitrile
CID 15322371

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(4-cyanophenoxy)pentyl]piperazin-1-yl]benzonitrile?
The IUPAC name of 4-[4-[5-(4-cyanophenoxy)pentyl]piperazin-1-yl]benzonitrile (CID 67131816) is 4-[4-[5-(4-cyanophenoxy)pentyl]piperazin-1-yl]benzonitrile.
What is the SMILES notation for 4-[4-[5-(4-cyanophenoxy)pentyl]piperazin-1-yl]benzonitrile?
The canonical SMILES for 4-[4-[5-(4-cyanophenoxy)pentyl]piperazin-1-yl]benzonitrile is N#Cc1ccc(OCCCCCN2CCN(c3ccc(C#N)cc3)CC2)cc1.
What is the InChIKey of 4-[4-[5-(4-cyanophenoxy)pentyl]piperazin-1-yl]benzonitrile?
The InChIKey is IUEZLSDMJIYHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c24-18-20-4-8-22(9-5-20)27-15-13-26(14-16-27)12-2-1-3-17-28-23-10-6-21(19-25)7-11-23/h4-11H,1-3,12-17H2.
What are the key properties of 4-[4-[5-(4-cyanophenoxy)pentyl]piperazin-1-yl]benzonitrile?
4-[4-[5-(4-cyanophenoxy)pentyl]piperazin-1-yl]benzonitrile has a molecular weight of 374.49 g/mol, XLogP of 3.80, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(4-cyanophenoxy)pentyl]piperazin-1-yl]benzonitrile is sourced from PubChem (CID 67131816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).