1-[1-benzofuran-2-yl-(1-cyclopentyltetrazol-5-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine

C28H32N6O — CID 51360442

IUPAC1-[1-benzofuran-2-yl-(1-cyclopentyltetrazol-5-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
SMILESC(=C/c1ccccc1)\CN1CCN(C(c2cc3ccccc3o2)c2nnnn2C2CCCC2)CC1
InChIInChI=1S/C28H32N6O/c1-2-9-22(10-3-1)11-8-16-32-17-19-33(20-18-32)27(26-21-23-12-4-7-15-25(23)35-26)28-29-30-31-34(28)24-13-5-6-14-24/h1-4,7-12,15,21,24,27H,5-6,13-14,16-20H2/b11-8+
InChIKeyKICZKDQPRPMPRG-DHZHZOJOSA-N
MW468.61 g/mol
LogP4.95
Rot. Bonds7

About 1-[1-benzofuran-2-yl-(1-cyclopentyltetrazol-5-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine

1-[1-benzofuran-2-yl-(1-cyclopentyltetrazol-5-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine (PubChem CID 51360442) has the molecular formula C28H32N6O and a molecular weight of 468.61 g/mol. Its IUPAC name is 1-[1-benzofuran-2-yl-(1-cyclopentyltetrazol-5-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine.

Molecular Properties

Compound Name1-[1-benzofuran-2-yl-(1-cyclopentyltetrazol-5-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
PubChem CID51360442
Molecular FormulaC28H32N6O
Molecular Weight468.61 g/mol
Exact Mass468.26
IUPAC Name1-[1-benzofuran-2-yl-(1-cyclopentyltetrazol-5-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
SMILESC(=C/c1ccccc1)\CN1CCN(C(c2cc3ccccc3o2)c2nnnn2C2CCCC2)CC1
InChIInChI=1S/C28H32N6O/c1-2-9-22(10-3-1)11-8-16-32-17-19-33(20-18-32)27(26-21-23-12-4-7-15-25(23)35-26)28-29-30-31-34(28)24-13-5-6-14-24/h1-4,7-12,15,21,24,27H,5-6,13-14,16-20H2/b11-8+
InChIKeyKICZKDQPRPMPRG-DHZHZOJOSA-N
XLogP4.95
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.61
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[1-benzofuran-2-yl-(1-cyclopentyltetrazol-5-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]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-benzofuran-2-yl-(1-cyclopentyltetrazol-5-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
The IUPAC name of 1-[1-benzofuran-2-yl-(1-cyclopentyltetrazol-5-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine (CID 51360442) is 1-[1-benzofuran-2-yl-(1-cyclopentyltetrazol-5-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine.
What is the SMILES notation for 1-[1-benzofuran-2-yl-(1-cyclopentyltetrazol-5-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
The canonical SMILES for 1-[1-benzofuran-2-yl-(1-cyclopentyltetrazol-5-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine is C(=C/c1ccccc1)\CN1CCN(C(c2cc3ccccc3o2)c2nnnn2C2CCCC2)CC1.
What is the InChIKey of 1-[1-benzofuran-2-yl-(1-cyclopentyltetrazol-5-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
The InChIKey is KICZKDQPRPMPRG-DHZHZOJOSA-N. The full InChI is InChI=1S/C28H32N6O/c1-2-9-22(10-3-1)11-8-16-32-17-19-33(20-18-32)27(26-21-23-12-4-7-15-25(23)35-26)28-29-30-31-34(28)24-13-5-6-14-24/h1-4,7-12,15,21,24,27H,5-6,13-14,16-20H2/b11-8+.
What are the key properties of 1-[1-benzofuran-2-yl-(1-cyclopentyltetrazol-5-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
1-[1-benzofuran-2-yl-(1-cyclopentyltetrazol-5-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine has a molecular weight of 468.61 g/mol, XLogP of 4.95, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-benzofuran-2-yl-(1-cyclopentyltetrazol-5-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine is sourced from PubChem (CID 51360442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).