[3-(tetrazol-1-yl)thiophen-2-yl]-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone

C20H24N6O4S — CID 55685894

IUPAC[3-(tetrazol-1-yl)thiophen-2-yl]-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCOc1ccc(CN2CCN(C(=O)c3sccc3-n3cnnn3)CC2)c(OC)c1OC
InChIInChI=1S/C20H24N6O4S/c1-28-16-5-4-14(17(29-2)18(16)30-3)12-24-7-9-25(10-8-24)20(27)19-15(6-11-31-19)26-13-21-22-23-26/h4-6,11,13H,7-10,12H2,1-3H3
InChIKeySWWDHIRVCMJWRQ-UHFFFAOYSA-N
MW444.52 g/mol
LogP1.71
Rot. Bonds7

About [3-(tetrazol-1-yl)thiophen-2-yl]-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone

[3-(tetrazol-1-yl)thiophen-2-yl]-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 55685894) has the molecular formula C20H24N6O4S and a molecular weight of 444.52 g/mol. Its IUPAC name is [3-(tetrazol-1-yl)thiophen-2-yl]-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(tetrazol-1-yl)thiophen-2-yl]-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
PubChem CID55685894
Molecular FormulaC20H24N6O4S
Molecular Weight444.52 g/mol
Exact Mass444.16
IUPAC Name[3-(tetrazol-1-yl)thiophen-2-yl]-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCOc1ccc(CN2CCN(C(=O)c3sccc3-n3cnnn3)CC2)c(OC)c1OC
InChIInChI=1S/C20H24N6O4S/c1-28-16-5-4-14(17(29-2)18(16)30-3)12-24-7-9-25(10-8-24)20(27)19-15(6-11-31-19)26-13-21-22-23-26/h4-6,11,13H,7-10,12H2,1-3H3
InChIKeySWWDHIRVCMJWRQ-UHFFFAOYSA-N
XLogP1.71
TPSA94.84 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze [3-(tetrazol-1-yl)thiophen-2-yl]-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

pyrrolidin-1-yl-[3-(tetrazol-1-yl)thiophen-2-yl]methanone
CID 47187933
phenyl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1148101
oxalic acid;thiophen-2-yl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 17366168
(4-fluorophenyl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1131721
(5,6,7-trimethoxynaphthalen-2-yl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110182317
[4-(diethylaminomethyl)phenyl]-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 55650413
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-[3-(tetrazol-1-yl)thiophen-2-yl]methanone
CID 79403974
(4-methyl-2-phenyl-1,3-thiazol-5-yl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 46637456
(3,4-difluorophenyl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 9069694
thiophen-2-yl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 154886124
oxalic acid;(4-phenylphenyl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 17366111
(2-fluorophenyl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1122393

Frequently Asked Questions

What is the IUPAC name of [3-(tetrazol-1-yl)thiophen-2-yl]-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [3-(tetrazol-1-yl)thiophen-2-yl]-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone (CID 55685894) is [3-(tetrazol-1-yl)thiophen-2-yl]-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [3-(tetrazol-1-yl)thiophen-2-yl]-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [3-(tetrazol-1-yl)thiophen-2-yl]-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone is COc1ccc(CN2CCN(C(=O)c3sccc3-n3cnnn3)CC2)c(OC)c1OC.
What is the InChIKey of [3-(tetrazol-1-yl)thiophen-2-yl]-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is SWWDHIRVCMJWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O4S/c1-28-16-5-4-14(17(29-2)18(16)30-3)12-24-7-9-25(10-8-24)20(27)19-15(6-11-31-19)26-13-21-22-23-26/h4-6,11,13H,7-10,12H2,1-3H3.
What are the key properties of [3-(tetrazol-1-yl)thiophen-2-yl]-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone?
[3-(tetrazol-1-yl)thiophen-2-yl]-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 444.52 g/mol, XLogP of 1.71, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(tetrazol-1-yl)thiophen-2-yl]-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 55685894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).