furan-2-yl-[4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperazin-1-yl]methanone

C23H30N6O2 — CID 3209098

IUPACfuran-2-yl-[4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperazin-1-yl]methanone
SMILESCCC(C)(C)n1nnnc1C(c1ccc(C)cc1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C23H30N6O2/c1-5-23(3,4)29-21(24-25-26-29)20(18-10-8-17(2)9-11-18)27-12-14-28(15-13-27)22(30)19-7-6-16-31-19/h6-11,16,20H,5,12-15H2,1-4H3
InChIKeyBQCOWDUPYRZPFL-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.27
Rot. Bonds6

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

furan-2-yl-[4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 3209098) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is furan-2-yl-[4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperazin-1-yl]methanone
PubChem CID3209098
Molecular FormulaC23H30N6O2
Molecular Weight422.53 g/mol
Exact Mass422.24
IUPAC Namefuran-2-yl-[4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperazin-1-yl]methanone
SMILESCCC(C)(C)n1nnnc1C(c1ccc(C)cc1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C23H30N6O2/c1-5-23(3,4)29-21(24-25-26-29)20(18-10-8-17(2)9-11-18)27-12-14-28(15-13-27)22(30)19-7-6-16-31-19/h6-11,16,20H,5,12-15H2,1-4H3
InChIKeyBQCOWDUPYRZPFL-UHFFFAOYSA-N
XLogP3.27
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperazin-1-yl]methanone (CID 3209098) is furan-2-yl-[4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperazin-1-yl]methanone is CCC(C)(C)n1nnnc1C(c1ccc(C)cc1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of furan-2-yl-[4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is BQCOWDUPYRZPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2/c1-5-23(3,4)29-21(24-25-26-29)20(18-10-8-17(2)9-11-18)27-12-14-28(15-13-27)22(30)19-7-6-16-31-19/h6-11,16,20H,5,12-15H2,1-4H3.
What are the key properties of furan-2-yl-[4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 422.53 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 3209098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).