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

C28H36N6O — CID 51360441

IUPAC1-[(1-cyclohexyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
SMILESCOc1ccc(C(c2nnnn2C2CCCCC2)N2CCN(C/C=C/c3ccccc3)CC2)cc1
InChIInChI=1S/C28H36N6O/c1-35-26-16-14-24(15-17-26)27(28-29-30-31-34(28)25-12-6-3-7-13-25)33-21-19-32(20-22-33)18-8-11-23-9-4-2-5-10-23/h2,4-5,8-11,14-17,25,27H,3,6-7,12-13,18-22H2,1H3/b11-8+
InChIKeyAMFQTMMVULTCHN-DHZHZOJOSA-N
MW472.64 g/mol
LogP4.61
Rot. Bonds8

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

1-[(1-cyclohexyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine (PubChem CID 51360441) has the molecular formula C28H36N6O and a molecular weight of 472.64 g/mol. Its IUPAC name is 1-[(1-cyclohexyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine.

Molecular Properties

Compound Name1-[(1-cyclohexyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
PubChem CID51360441
Molecular FormulaC28H36N6O
Molecular Weight472.64 g/mol
Exact Mass472.30
IUPAC Name1-[(1-cyclohexyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
SMILESCOc1ccc(C(c2nnnn2C2CCCCC2)N2CCN(C/C=C/c3ccccc3)CC2)cc1
InChIInChI=1S/C28H36N6O/c1-35-26-16-14-24(15-17-26)27(28-29-30-31-34(28)25-12-6-3-7-13-25)33-21-19-32(20-22-33)18-8-11-23-9-4-2-5-10-23/h2,4-5,8-11,14-17,25,27H,3,6-7,12-13,18-22H2,1H3/b11-8+
InChIKeyAMFQTMMVULTCHN-DHZHZOJOSA-N
XLogP4.61
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.64
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[(1-cyclohexyltetrazol-5-yl)-(4-methoxyphenyl)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-cyclohexyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
The IUPAC name of 1-[(1-cyclohexyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine (CID 51360441) is 1-[(1-cyclohexyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine.
What is the SMILES notation for 1-[(1-cyclohexyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
The canonical SMILES for 1-[(1-cyclohexyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine is COc1ccc(C(c2nnnn2C2CCCCC2)N2CCN(C/C=C/c3ccccc3)CC2)cc1.
What is the InChIKey of 1-[(1-cyclohexyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
The InChIKey is AMFQTMMVULTCHN-DHZHZOJOSA-N. The full InChI is InChI=1S/C28H36N6O/c1-35-26-16-14-24(15-17-26)27(28-29-30-31-34(28)25-12-6-3-7-13-25)33-21-19-32(20-22-33)18-8-11-23-9-4-2-5-10-23/h2,4-5,8-11,14-17,25,27H,3,6-7,12-13,18-22H2,1H3/b11-8+.
What are the key properties of 1-[(1-cyclohexyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
1-[(1-cyclohexyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine has a molecular weight of 472.64 g/mol, XLogP of 4.61, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclohexyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine is sourced from PubChem (CID 51360441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).