1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]-4-phenylpiperazine

C24H26N6OS — CID 649016

IUPAC1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]-4-phenylpiperazine
SMILESCOc1ccc(Cn2nnnc2C(c2cccs2)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C24H26N6OS/c1-31-21-11-9-19(10-12-21)18-30-24(25-26-27-30)23(22-8-5-17-32-22)29-15-13-28(14-16-29)20-6-3-2-4-7-20/h2-12,17,23H,13-16,18H2,1H3
InChIKeyOVCZPKQZQWRAGV-UHFFFAOYSA-N
MW446.58 g/mol
LogP3.70
Rot. Bonds7

About 1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]-4-phenylpiperazine

1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]-4-phenylpiperazine (PubChem CID 649016) has the molecular formula C24H26N6OS and a molecular weight of 446.58 g/mol. Its IUPAC name is 1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]-4-phenylpiperazine
PubChem CID649016
Molecular FormulaC24H26N6OS
Molecular Weight446.58 g/mol
Exact Mass446.19
IUPAC Name1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]-4-phenylpiperazine
SMILESCOc1ccc(Cn2nnnc2C(c2cccs2)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C24H26N6OS/c1-31-21-11-9-19(10-12-21)18-30-24(25-26-27-30)23(22-8-5-17-32-22)29-15-13-28(14-16-29)20-6-3-2-4-7-20/h2-12,17,23H,13-16,18H2,1H3
InChIKeyOVCZPKQZQWRAGV-UHFFFAOYSA-N
XLogP3.70
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.58
LogP ≤ 53.70
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-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-butyl]-piperazine
CID 647108
1-{1-[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-butyl}-4-phenyl-piperazine
CID 651378
1-[(1-Cyclohexyl-1H-tetrazol-5-yl)-(4-methoxy-phenyl)-methyl]-4-(2-fluoro-phenyl)-piperazine
CID 651386
4-{[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-thiophen-2-yl-methyl}-morpholine
CID 651994
1-{(4-Methoxy-phenyl)-[1-(tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-yl]-methyl}-4-phenyl-piperazine
CID 653553
1-{1-[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-3-methyl-butyl}-4-phenyl-piperazine
CID 654297
1-[(3,4-Dimethoxy-phenyl)-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-methyl]-4-(4-fluoro-phenyl)-piperazine
CID 656108
1-[(1-Cyclopentyl-1H-tetrazol-5-yl)-(4-methoxy-phenyl)-methyl]-4-phenyl-piperazine
CID 3208764
1-(2-Methoxy-benzyl)-4-[3-methyl-1-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-butyl]-piperazine
CID 6603071
1-[(3,4-Dimethoxy-phenyl)-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-methyl]-4-(2-fluoro-phenyl)-piperazine
CID 6603165
1-(4-Methoxyphenyl)-4-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]propyl]piperazine;hydrochloride
CID 16189544

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]-4-phenylpiperazine?
The IUPAC name of 1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]-4-phenylpiperazine (CID 649016) is 1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]-4-phenylpiperazine?
The canonical SMILES for 1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]-4-phenylpiperazine is COc1ccc(Cn2nnnc2C(c2cccs2)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]-4-phenylpiperazine?
The InChIKey is OVCZPKQZQWRAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6OS/c1-31-21-11-9-19(10-12-21)18-30-24(25-26-27-30)23(22-8-5-17-32-22)29-15-13-28(14-16-29)20-6-3-2-4-7-20/h2-12,17,23H,13-16,18H2,1H3.
What are the key properties of 1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]-4-phenylpiperazine?
1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]-4-phenylpiperazine has a molecular weight of 446.58 g/mol, XLogP of 3.70, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]-4-phenylpiperazine is sourced from PubChem (CID 649016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).