1-[[1-(4-methoxyphenyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine

C26H28N6OS — CID 51360426

IUPAC1-[[1-(4-methoxyphenyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
SMILESCOc1ccc(-n2nnnc2C(c2cccs2)N2CCN(C/C=C/c3ccccc3)CC2)cc1
InChIInChI=1S/C26H28N6OS/c1-33-23-13-11-22(12-14-23)32-26(27-28-29-32)25(24-10-6-20-34-24)31-18-16-30(17-19-31)15-5-9-21-7-3-2-4-8-21/h2-14,20,25H,15-19H2,1H3/b9-5+
InChIKeyBFLPLRJRMNIJNC-WEVVVXLNSA-N
MW472.62 g/mol
LogP4.15
Rot. Bonds8

About 1-[[1-(4-methoxyphenyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine

1-[[1-(4-methoxyphenyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine (PubChem CID 51360426) has the molecular formula C26H28N6OS and a molecular weight of 472.62 g/mol. Its IUPAC name is 1-[[1-(4-methoxyphenyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine.

Molecular Properties

Compound Name1-[[1-(4-methoxyphenyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
PubChem CID51360426
Molecular FormulaC26H28N6OS
Molecular Weight472.62 g/mol
Exact Mass472.20
IUPAC Name1-[[1-(4-methoxyphenyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
SMILESCOc1ccc(-n2nnnc2C(c2cccs2)N2CCN(C/C=C/c3ccccc3)CC2)cc1
InChIInChI=1S/C26H28N6OS/c1-33-23-13-11-22(12-14-23)32-26(27-28-29-32)25(24-10-6-20-34-24)31-18-16-30(17-19-31)15-5-9-21-7-3-2-4-8-21/h2-14,20,25H,15-19H2,1H3/b9-5+
InChIKeyBFLPLRJRMNIJNC-WEVVVXLNSA-N
XLogP4.15
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.62
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(1-Cyclopentyl-1H-tetrazol-5-yl)-thiophen-2-yl-methyl]-4-(4-methoxy-phenyl)-piperazine
CID 646150
1-(4-Methoxy-phenyl)-4-[1-(1-phenethyl-1H-tetrazol-5-yl)-propyl]-piperazine
CID 646404
1-(4-Methoxy-phenyl)-4-[1-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-butyl]-piperazine
CID 647108
1-{[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-thiophen-2-yl-methyl}-4-phenyl-piperazine
CID 649016
1-[(3,4-Dimethoxy-phenyl)-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-methyl]-4-(4-fluoro-phenyl)-piperazine
CID 656108
1-[(3,4-Dimethoxy-phenyl)-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-methyl]-4-(2-fluoro-phenyl)-piperazine
CID 6603165
1-(2-Fluoro-phenyl)-4-[(4-methoxy-phenyl)-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-methyl]-piperazine
CID 649190
4-{[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-thiophen-2-yl-methyl}-thiomorpholine
CID 651340
1-[(3,4-Dimethoxyphenyl)-[1-(thiophen-2-ylmethyl)-5-tetrazolyl]methyl]-4-phenylpiperazine
CID 655875
1-[(1-Cyclopentyl-5-tetrazolyl)-thiophen-2-ylmethyl]-4-(2-methoxyphenyl)piperazine
CID 655956
1-{[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-thiophen-2-yl-methyl}-4-(4-nitro-phenyl)-piperazine
CID 3193458
1-[1-(1-Benzyltetrazol-5-yl)propyl]-4-(4-methoxyphenyl)piperazine
CID 3209622

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-methoxyphenyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
The IUPAC name of 1-[[1-(4-methoxyphenyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine (CID 51360426) is 1-[[1-(4-methoxyphenyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine.
What is the SMILES notation for 1-[[1-(4-methoxyphenyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
The canonical SMILES for 1-[[1-(4-methoxyphenyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine is COc1ccc(-n2nnnc2C(c2cccs2)N2CCN(C/C=C/c3ccccc3)CC2)cc1.
What is the InChIKey of 1-[[1-(4-methoxyphenyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
The InChIKey is BFLPLRJRMNIJNC-WEVVVXLNSA-N. The full InChI is InChI=1S/C26H28N6OS/c1-33-23-13-11-22(12-14-23)32-26(27-28-29-32)25(24-10-6-20-34-24)31-18-16-30(17-19-31)15-5-9-21-7-3-2-4-8-21/h2-14,20,25H,15-19H2,1H3/b9-5+.
What are the key properties of 1-[[1-(4-methoxyphenyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
1-[[1-(4-methoxyphenyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine has a molecular weight of 472.62 g/mol, XLogP of 4.15, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-methoxyphenyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine is sourced from PubChem (CID 51360426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).