4-[2-[[4-benzyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine

C26H35N5O2S — CID 26338987

About 4-[2-[[4-benzyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine

4-[2-[[4-benzyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine (PubChem CID 26338987) has the molecular formula C26H35N5O2S and a molecular weight of 481.67 g/mol. Its IUPAC name is 4-[2-[[4-benzyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine.

Molecular Properties

• Compound Name: 4-[2-[[4-benzyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine
• PubChem CID: 26338987
• Molecular Formula: C26H35N5O2S
• Molecular Weight: 481.67 g/mol
• Exact Mass: 481.25
• IUPAC Name: 4-[2-[[4-benzyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine
• SMILES: Cc1ccc(CN2CCC(c3nnc(SCCN4CCOCC4)n3Cc3ccccc3)CC2)o1
• InChI: InChI=1S/C26H35N5O2S/c1-21-7-8-24(33-21)20-30-11-9-23(10-12-30)25-27-28-26(31(25)19-22-5-3-2-4-6-22)34-18-15-29-13-16-32-17-14-29/h2-8,23H,9-20H2,1H3
• InChIKey: ZYJPGKFHESMDET-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 59.56 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.67
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[4-benzyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine?

The IUPAC name of 4-[2-[[4-benzyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine (CID 26338987) is 4-[2-[[4-benzyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine.

What is the SMILES notation for 4-[2-[[4-benzyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine?

The canonical SMILES for 4-[2-[[4-benzyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine is Cc1ccc(CN2CCC(c3nnc(SCCN4CCOCC4)n3Cc3ccccc3)CC2)o1.

What is the InChIKey of 4-[2-[[4-benzyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine?

The InChIKey is ZYJPGKFHESMDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O2S/c1-21-7-8-24(33-21)20-30-11-9-23(10-12-30)25-27-28-26(31(25)19-22-5-3-2-4-6-22)34-18-15-29-13-16-32-17-14-29/h2-8,23H,9-20H2,1H3.

What are the key properties of 4-[2-[[4-benzyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine?

4-[2-[[4-benzyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine has a molecular weight of 481.67 g/mol, XLogP of 4.03, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[[4-benzyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine is sourced from PubChem (CID 26338987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).