3-[(4-cyclohexylpiperazin-1-yl)-(1-cyclopentyltetrazol-5-yl)methyl]benzonitrile

C24H33N7 — CID 3229204

IUPAC3-[(4-cyclohexylpiperazin-1-yl)-(1-cyclopentyltetrazol-5-yl)methyl]benzonitrile
SMILESN#Cc1cccc(C(c2nnnn2C2CCCC2)N2CCN(C3CCCCC3)CC2)c1
InChIInChI=1S/C24H33N7/c25-18-19-7-6-8-20(17-19)23(24-26-27-28-31(24)22-11-4-5-12-22)30-15-13-29(14-16-30)21-9-2-1-3-10-21/h6-8,17,21-23H,1-5,9-16H2
InChIKeySOMKMYUPDRKRPA-UHFFFAOYSA-N
MW419.58 g/mol
LogP3.70
Rot. Bonds5

About 3-[(4-cyclohexylpiperazin-1-yl)-(1-cyclopentyltetrazol-5-yl)methyl]benzonitrile

3-[(4-cyclohexylpiperazin-1-yl)-(1-cyclopentyltetrazol-5-yl)methyl]benzonitrile (PubChem CID 3229204) has the molecular formula C24H33N7 and a molecular weight of 419.58 g/mol. Its IUPAC name is 3-[(4-cyclohexylpiperazin-1-yl)-(1-cyclopentyltetrazol-5-yl)methyl]benzonitrile.

Molecular Properties

Compound Name3-[(4-cyclohexylpiperazin-1-yl)-(1-cyclopentyltetrazol-5-yl)methyl]benzonitrile
PubChem CID3229204
Molecular FormulaC24H33N7
Molecular Weight419.58 g/mol
Exact Mass419.28
IUPAC Name3-[(4-cyclohexylpiperazin-1-yl)-(1-cyclopentyltetrazol-5-yl)methyl]benzonitrile
SMILESN#Cc1cccc(C(c2nnnn2C2CCCC2)N2CCN(C3CCCCC3)CC2)c1
InChIInChI=1S/C24H33N7/c25-18-19-7-6-8-20(17-19)23(24-26-27-28-31(24)22-11-4-5-12-22)30-15-13-29(14-16-30)21-9-2-1-3-10-21/h6-8,17,21-23H,1-5,9-16H2
InChIKeySOMKMYUPDRKRPA-UHFFFAOYSA-N
XLogP3.70
TPSA73.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.58
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[(4-cyclohexylpiperazin-1-yl)-(1-cyclopentyltetrazol-5-yl)methyl]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

1-cyclohexyl-4-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]piperazine
CID 3208575
1-[(S)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine
CID 1443494
1-[(S)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine
CID 858129
1-cyclohexyl-4-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine
CID 1443548
1-[(S)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine
CID 1443350
1-[(R)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine
CID 858112
3-[(R)-(4-cyclohexylpiperazin-1-yl)-(1-cyclopentyltetrazol-5-yl)methyl]-8-methyl-1H-quinolin-2-one
CID 1158355
1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine
CID 3201581
1-[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperidine-4-carboxamide
CID 3208573
1-[(1-cyclohexyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]-4-methylpiperazine
CID 3201719
1-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperidine
CID 3173834
4-[(S)-azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]phenol
CID 861193

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyclohexylpiperazin-1-yl)-(1-cyclopentyltetrazol-5-yl)methyl]benzonitrile?
The IUPAC name of 3-[(4-cyclohexylpiperazin-1-yl)-(1-cyclopentyltetrazol-5-yl)methyl]benzonitrile (CID 3229204) is 3-[(4-cyclohexylpiperazin-1-yl)-(1-cyclopentyltetrazol-5-yl)methyl]benzonitrile.
What is the SMILES notation for 3-[(4-cyclohexylpiperazin-1-yl)-(1-cyclopentyltetrazol-5-yl)methyl]benzonitrile?
The canonical SMILES for 3-[(4-cyclohexylpiperazin-1-yl)-(1-cyclopentyltetrazol-5-yl)methyl]benzonitrile is N#Cc1cccc(C(c2nnnn2C2CCCC2)N2CCN(C3CCCCC3)CC2)c1.
What is the InChIKey of 3-[(4-cyclohexylpiperazin-1-yl)-(1-cyclopentyltetrazol-5-yl)methyl]benzonitrile?
The InChIKey is SOMKMYUPDRKRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7/c25-18-19-7-6-8-20(17-19)23(24-26-27-28-31(24)22-11-4-5-12-22)30-15-13-29(14-16-30)21-9-2-1-3-10-21/h6-8,17,21-23H,1-5,9-16H2.
What are the key properties of 3-[(4-cyclohexylpiperazin-1-yl)-(1-cyclopentyltetrazol-5-yl)methyl]benzonitrile?
3-[(4-cyclohexylpiperazin-1-yl)-(1-cyclopentyltetrazol-5-yl)methyl]benzonitrile has a molecular weight of 419.58 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyclohexylpiperazin-1-yl)-(1-cyclopentyltetrazol-5-yl)methyl]benzonitrile is sourced from PubChem (CID 3229204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).