furan-2-yl-[4-[(1R)-3-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazin-4-ium-1-yl]methanone

C20H33N6O2+ — CID 7384289

About furan-2-yl-[4-[(1R)-3-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazin-4-ium-1-yl]methanone

furan-2-yl-[4-[(1R)-3-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazin-4-ium-1-yl]methanone (PubChem CID 7384289) has the molecular formula C20H33N6O2+ and a molecular weight of 389.52 g/mol. Its IUPAC name is furan-2-yl-[4-[(1R)-3-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazin-4-ium-1-yl]methanone.

Molecular Properties

• Compound Name: furan-2-yl-[4-[(1R)-3-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazin-4-ium-1-yl]methanone
• PubChem CID: 7384289
• Molecular Formula: C20H33N6O2+
• Molecular Weight: 389.52 g/mol
• Exact Mass: 389.27
• IUPAC Name: furan-2-yl-[4-[(1R)-3-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazin-4-ium-1-yl]methanone
• SMILES: CCC(C)(C)n1nnnc1[C@@H](CC(C)C)[NH+]1CCN(C(=O)c2ccco2)CC1
• InChI: InChI=1S/C20H32N6O2/c1-6-20(4,5)26-18(21-22-23-26)16(14-15(2)3)24-9-11-25(12-10-24)19(27)17-8-7-13-28-17/h7-8,13,15-16H,6,9-12,14H2,1-5H3/p+1/t16-/m1/s1
• InChIKey: GYZHXHIYLAWMCM-MRXNPFEDSA-O
• XLogP: 1.54
• TPSA: 81.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.52
LogP ≤ 5	1.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[(1R)-3-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazin-4-ium-1-yl]methanone?

The IUPAC name of furan-2-yl-[4-[(1R)-3-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazin-4-ium-1-yl]methanone (CID 7384289) is furan-2-yl-[4-[(1R)-3-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazin-4-ium-1-yl]methanone.

What is the SMILES notation for furan-2-yl-[4-[(1R)-3-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazin-4-ium-1-yl]methanone?

The canonical SMILES for furan-2-yl-[4-[(1R)-3-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazin-4-ium-1-yl]methanone is CCC(C)(C)n1nnnc1[C@@H](CC(C)C)[NH+]1CCN(C(=O)c2ccco2)CC1.

What is the InChIKey of furan-2-yl-[4-[(1R)-3-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazin-4-ium-1-yl]methanone?

The InChIKey is GYZHXHIYLAWMCM-MRXNPFEDSA-O. The full InChI is InChI=1S/C20H32N6O2/c1-6-20(4,5)26-18(21-22-23-26)16(14-15(2)3)24-9-11-25(12-10-24)19(27)17-8-7-13-28-17/h7-8,13,15-16H,6,9-12,14H2,1-5H3/p+1/t16-/m1/s1.

What are the key properties of furan-2-yl-[4-[(1R)-3-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazin-4-ium-1-yl]methanone?

furan-2-yl-[4-[(1R)-3-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazin-4-ium-1-yl]methanone has a molecular weight of 389.52 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for furan-2-yl-[4-[(1R)-3-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazin-4-ium-1-yl]methanone is sourced from PubChem (CID 7384289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).