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

C30H34N6O3 — CID 51360409

IUPAC1-[(2,3-dimethoxyphenyl)-[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
SMILESCOc1ccc(-n2nnnc2C(c2cccc(OC)c2OC)N2CCN(C/C=C/c3ccccc3)CC2)cc1
InChIInChI=1S/C30H34N6O3/c1-37-25-16-14-24(15-17-25)36-30(31-32-33-36)28(26-12-7-13-27(38-2)29(26)39-3)35-21-19-34(20-22-35)18-8-11-23-9-5-4-6-10-23/h4-17,28H,18-22H2,1-3H3/b11-8+
InChIKeyGLHQCCPIXAVDGV-DHZHZOJOSA-N
MW526.64 g/mol
LogP4.11
Rot. Bonds10

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

1-[(2,3-dimethoxyphenyl)-[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine (PubChem CID 51360409) has the molecular formula C30H34N6O3 and a molecular weight of 526.64 g/mol. Its IUPAC name is 1-[(2,3-dimethoxyphenyl)-[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine.

Molecular Properties

Compound Name1-[(2,3-dimethoxyphenyl)-[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
PubChem CID51360409
Molecular FormulaC30H34N6O3
Molecular Weight526.64 g/mol
Exact Mass526.27
IUPAC Name1-[(2,3-dimethoxyphenyl)-[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
SMILESCOc1ccc(-n2nnnc2C(c2cccc(OC)c2OC)N2CCN(C/C=C/c3ccccc3)CC2)cc1
InChIInChI=1S/C30H34N6O3/c1-37-25-16-14-24(15-17-25)36-30(31-32-33-36)28(26-12-7-13-27(38-2)29(26)39-3)35-21-19-34(20-22-35)18-8-11-23-9-5-4-6-10-23/h4-17,28H,18-22H2,1-3H3/b11-8+
InChIKeyGLHQCCPIXAVDGV-DHZHZOJOSA-N
XLogP4.11
TPSA77.77 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.64
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-[(2,3-dimethoxyphenyl)-[1-(4-methoxyphenyl)tetrazol-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-[(2,3-dimethoxyphenyl)-[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
The IUPAC name of 1-[(2,3-dimethoxyphenyl)-[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine (CID 51360409) is 1-[(2,3-dimethoxyphenyl)-[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine.
What is the SMILES notation for 1-[(2,3-dimethoxyphenyl)-[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
The canonical SMILES for 1-[(2,3-dimethoxyphenyl)-[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine is COc1ccc(-n2nnnc2C(c2cccc(OC)c2OC)N2CCN(C/C=C/c3ccccc3)CC2)cc1.
What is the InChIKey of 1-[(2,3-dimethoxyphenyl)-[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
The InChIKey is GLHQCCPIXAVDGV-DHZHZOJOSA-N. The full InChI is InChI=1S/C30H34N6O3/c1-37-25-16-14-24(15-17-25)36-30(31-32-33-36)28(26-12-7-13-27(38-2)29(26)39-3)35-21-19-34(20-22-35)18-8-11-23-9-5-4-6-10-23/h4-17,28H,18-22H2,1-3H3/b11-8+.
What are the key properties of 1-[(2,3-dimethoxyphenyl)-[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
1-[(2,3-dimethoxyphenyl)-[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine has a molecular weight of 526.64 g/mol, XLogP of 4.11, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dimethoxyphenyl)-[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine is sourced from PubChem (CID 51360409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).