1-(1-benzothiophen-4-yl)-4-[4-(1-cyclohexyltetrazol-5-yl)butyl]piperazine

C23H32N6S — CID 138374889

IUPAC1-(1-benzothiophen-4-yl)-4-[4-(1-cyclohexyltetrazol-5-yl)butyl]piperazine
SMILESc1cc(N2CCN(CCCCc3nnnn3C3CCCCC3)CC2)c2ccsc2c1
InChIInChI=1S/C23H32N6S/c1-2-7-19(8-3-1)29-23(24-25-26-29)11-4-5-13-27-14-16-28(17-15-27)21-9-6-10-22-20(21)12-18-30-22/h6,9-10,12,18-19H,1-5,7-8,11,13-17H2
InChIKeyLGNQDGZEDYGQHO-UHFFFAOYSA-N
MW424.62 g/mol
LogP4.54
Rot. Bonds7

About 1-(1-benzothiophen-4-yl)-4-[4-(1-cyclohexyltetrazol-5-yl)butyl]piperazine

1-(1-benzothiophen-4-yl)-4-[4-(1-cyclohexyltetrazol-5-yl)butyl]piperazine (PubChem CID 138374889) has the molecular formula C23H32N6S and a molecular weight of 424.62 g/mol. Its IUPAC name is 1-(1-benzothiophen-4-yl)-4-[4-(1-cyclohexyltetrazol-5-yl)butyl]piperazine.

Molecular Properties

Compound Name1-(1-benzothiophen-4-yl)-4-[4-(1-cyclohexyltetrazol-5-yl)butyl]piperazine
PubChem CID138374889
Molecular FormulaC23H32N6S
Molecular Weight424.62 g/mol
Exact Mass424.24
IUPAC Name1-(1-benzothiophen-4-yl)-4-[4-(1-cyclohexyltetrazol-5-yl)butyl]piperazine
SMILESc1cc(N2CCN(CCCCc3nnnn3C3CCCCC3)CC2)c2ccsc2c1
InChIInChI=1S/C23H32N6S/c1-2-7-19(8-3-1)29-23(24-25-26-29)11-4-5-13-27-14-16-28(17-15-27)21-9-6-10-22-20(21)12-18-30-22/h6,9-10,12,18-19H,1-5,7-8,11,13-17H2
InChIKeyLGNQDGZEDYGQHO-UHFFFAOYSA-N
XLogP4.54
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.62
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-(1-benzothiophen-4-yl)-4-[4-(1-cyclohexyltetrazol-5-yl)butyl]piperazine 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 1-(1-benzothiophen-4-yl)-4-[4-(1-cyclohexyltetrazol-5-yl)butyl]piperazine?
The IUPAC name of 1-(1-benzothiophen-4-yl)-4-[4-(1-cyclohexyltetrazol-5-yl)butyl]piperazine (CID 138374889) is 1-(1-benzothiophen-4-yl)-4-[4-(1-cyclohexyltetrazol-5-yl)butyl]piperazine.
What is the SMILES notation for 1-(1-benzothiophen-4-yl)-4-[4-(1-cyclohexyltetrazol-5-yl)butyl]piperazine?
The canonical SMILES for 1-(1-benzothiophen-4-yl)-4-[4-(1-cyclohexyltetrazol-5-yl)butyl]piperazine is c1cc(N2CCN(CCCCc3nnnn3C3CCCCC3)CC2)c2ccsc2c1.
What is the InChIKey of 1-(1-benzothiophen-4-yl)-4-[4-(1-cyclohexyltetrazol-5-yl)butyl]piperazine?
The InChIKey is LGNQDGZEDYGQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6S/c1-2-7-19(8-3-1)29-23(24-25-26-29)11-4-5-13-27-14-16-28(17-15-27)21-9-6-10-22-20(21)12-18-30-22/h6,9-10,12,18-19H,1-5,7-8,11,13-17H2.
What are the key properties of 1-(1-benzothiophen-4-yl)-4-[4-(1-cyclohexyltetrazol-5-yl)butyl]piperazine?
1-(1-benzothiophen-4-yl)-4-[4-(1-cyclohexyltetrazol-5-yl)butyl]piperazine has a molecular weight of 424.62 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-4-yl)-4-[4-(1-cyclohexyltetrazol-5-yl)butyl]piperazine is sourced from PubChem (CID 138374889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).