furan-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazin-1-yl]methanone

C21H26N6O4 — CID 3209343

IUPACfuran-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCOCCn1nnnc1C(c1ccccc1OC)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C21H26N6O4/c1-29-15-13-27-20(22-23-24-27)19(16-6-3-4-7-17(16)30-2)25-9-11-26(12-10-25)21(28)18-8-5-14-31-18/h3-8,14,19H,9-13,15H2,1-2H3
InChIKeySXUFGCMARCIIBQ-UHFFFAOYSA-N
MW426.48 g/mol
LogP1.47
Rot. Bonds8

About furan-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazin-1-yl]methanone

furan-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 3209343) has the molecular formula C21H26N6O4 and a molecular weight of 426.48 g/mol. Its IUPAC name is furan-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
PubChem CID3209343
Molecular FormulaC21H26N6O4
Molecular Weight426.48 g/mol
Exact Mass426.20
IUPAC Namefuran-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCOCCn1nnnc1C(c1ccccc1OC)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C21H26N6O4/c1-29-15-13-27-20(22-23-24-27)19(16-6-3-4-7-17(16)30-2)25-9-11-26(12-10-25)21(28)18-8-5-14-31-18/h3-8,14,19H,9-13,15H2,1-2H3
InChIKeySXUFGCMARCIIBQ-UHFFFAOYSA-N
XLogP1.47
TPSA98.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazin-1-yl]methanone (CID 3209343) is furan-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazin-1-yl]methanone is COCCn1nnnc1C(c1ccccc1OC)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of furan-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is SXUFGCMARCIIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O4/c1-29-15-13-27-20(22-23-24-27)19(16-6-3-4-7-17(16)30-2)25-9-11-26(12-10-25)21(28)18-8-5-14-31-18/h3-8,14,19H,9-13,15H2,1-2H3.
What are the key properties of furan-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 426.48 g/mol, XLogP of 1.47, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 3209343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).