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

C20H26N6OS — CID 3210317

IUPAC1-ethyl-4-[(4-methoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
SMILESCCN1CCN(C(c2ccc(OC)cc2)c2nnnn2Cc2cccs2)CC1
InChIInChI=1S/C20H26N6OS/c1-3-24-10-12-25(13-11-24)19(16-6-8-17(27-2)9-7-16)20-21-22-23-26(20)15-18-5-4-14-28-18/h4-9,14,19H,3,10-13,15H2,1-2H3
InChIKeyKNIQMHKBALORQU-UHFFFAOYSA-N
MW398.54 g/mol
LogP2.52
Rot. Bonds7

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

1-ethyl-4-[(4-methoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine (PubChem CID 3210317) has the molecular formula C20H26N6OS and a molecular weight of 398.54 g/mol. Its IUPAC name is 1-ethyl-4-[(4-methoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[(4-methoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
PubChem CID3210317
Molecular FormulaC20H26N6OS
Molecular Weight398.54 g/mol
Exact Mass398.19
IUPAC Name1-ethyl-4-[(4-methoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
SMILESCCN1CCN(C(c2ccc(OC)cc2)c2nnnn2Cc2cccs2)CC1
InChIInChI=1S/C20H26N6OS/c1-3-24-10-12-25(13-11-24)19(16-6-8-17(27-2)9-7-16)20-21-22-23-26(20)15-18-5-4-14-28-18/h4-9,14,19H,3,10-13,15H2,1-2H3
InChIKeyKNIQMHKBALORQU-UHFFFAOYSA-N
XLogP2.52
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.54
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-ethyl-4-[(4-methoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-{[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-thiophen-2-yl-methyl}-4-phenyl-piperazine
CID 649016
4-{[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-thiophen-2-yl-methyl}-morpholine
CID 651994
1-Benzo[1,3]dioxol-5-ylmethyl-4-[(1-tert-butyl-1H-tetrazol-5-yl)-thiophen-2-yl-methyl]-piperazine
CID 3193631
5-(4-Methoxyphenyl)-7-(3-methylthien-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3244971
1-Cyclopentyl-4-{[1-(4-methoxy-benzyl)-1H-tetrazol-5-yl]-phenyl-methyl}-piperazine
CID 6602647
1-Benzo[1,3]dioxol-5-ylmethyl-4-[(1-phenethyl-1H-tetrazol-5-yl)-thiophen-2-yl-methyl]-piperazine
CID 6603028
1-(2-Methoxy-benzyl)-4-[3-methyl-1-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-butyl]-piperazine
CID 6603071
1-Cyclopentyl-4-[(4-methoxy-phenyl)-(1-phenethyl-1H-tetrazol-5-yl)-methyl]-piperazine
CID 6603101
1-[(1-Cyclopentyl-1H-tetrazol-5-yl)-(4-methoxy-phenyl)-methyl]-4-methyl-piperidine
CID 6603172
1-Ethyl-4-({1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrazol-5-yl}(phenyl)methyl)piperazine hydrochloride
CID 16192914
5-(4-Methoxyphenyl)-7-(thiophen-2-yl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 2948332
1-[(2,4-Dimethoxy-phenyl)-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-methyl]-piperidine-4-carboxylic acid amide
CID 646962

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(4-methoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine?
The IUPAC name of 1-ethyl-4-[(4-methoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine (CID 3210317) is 1-ethyl-4-[(4-methoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[(4-methoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine?
The canonical SMILES for 1-ethyl-4-[(4-methoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine is CCN1CCN(C(c2ccc(OC)cc2)c2nnnn2Cc2cccs2)CC1.
What is the InChIKey of 1-ethyl-4-[(4-methoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine?
The InChIKey is KNIQMHKBALORQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6OS/c1-3-24-10-12-25(13-11-24)19(16-6-8-17(27-2)9-7-16)20-21-22-23-26(20)15-18-5-4-14-28-18/h4-9,14,19H,3,10-13,15H2,1-2H3.
What are the key properties of 1-ethyl-4-[(4-methoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine?
1-ethyl-4-[(4-methoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine has a molecular weight of 398.54 g/mol, XLogP of 2.52, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(4-methoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine is sourced from PubChem (CID 3210317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).