[4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidin-1-yl]-(2-methylfuro[2,3-c]pyridin-7-yl)methanone

C37H41N5O2 — CID 58727680

About [4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidin-1-yl]-(2-methylfuro[2,3-c]pyridin-7-yl)methanone

[4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidin-1-yl]-(2-methylfuro[2,3-c]pyridin-7-yl)methanone (PubChem CID 58727680) has the molecular formula C37H41N5O2 and a molecular weight of 587.77 g/mol. Its IUPAC name is [4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidin-1-yl]-(2-methylfuro[2,3-c]pyridin-7-yl)methanone.

Molecular Properties

• Compound Name: [4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidin-1-yl]-(2-methylfuro[2,3-c]pyridin-7-yl)methanone
• PubChem CID: 58727680
• Molecular Formula: C37H41N5O2
• Molecular Weight: 587.77 g/mol
• Exact Mass: 587.33
• IUPAC Name: [4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidin-1-yl]-(2-methylfuro[2,3-c]pyridin-7-yl)methanone
• SMILES: Cc1cc2ccnc(C(=O)N3CCC(CCN4C5CCC4CC(n4c(C)nc6ccccc64)C5)(c4ccccc4)CC3)c2o1
• InChI: InChI=1S/C37H41N5O2/c1-25-22-27-14-18-38-34(35(27)44-25)36(43)40-19-15-37(16-20-40,28-8-4-3-5-9-28)17-21-41-29-12-13-30(41)24-31(23-29)42-26(2)39-32-10-6-7-11-33(32)42/h3-11,14,18,22,29-31H,12-13,15-17,19-21,23-24H2,1-2H3
• InChIKey: HMNPDBQJNHRNAF-UHFFFAOYSA-N
• XLogP: 7.23
• TPSA: 67.40 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	587.77
LogP ≤ 5	7.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidin-1-yl]-(2-methylfuro[2,3-c]pyridin-7-yl)methanone?

The IUPAC name of [4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidin-1-yl]-(2-methylfuro[2,3-c]pyridin-7-yl)methanone (CID 58727680) is [4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidin-1-yl]-(2-methylfuro[2,3-c]pyridin-7-yl)methanone.

What is the SMILES notation for [4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidin-1-yl]-(2-methylfuro[2,3-c]pyridin-7-yl)methanone?

The canonical SMILES for [4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidin-1-yl]-(2-methylfuro[2,3-c]pyridin-7-yl)methanone is Cc1cc2ccnc(C(=O)N3CCC(CCN4C5CCC4CC(n4c(C)nc6ccccc64)C5)(c4ccccc4)CC3)c2o1.

What is the InChIKey of [4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidin-1-yl]-(2-methylfuro[2,3-c]pyridin-7-yl)methanone?

The InChIKey is HMNPDBQJNHRNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H41N5O2/c1-25-22-27-14-18-38-34(35(27)44-25)36(43)40-19-15-37(16-20-40,28-8-4-3-5-9-28)17-21-41-29-12-13-30(41)24-31(23-29)42-26(2)39-32-10-6-7-11-33(32)42/h3-11,14,18,22,29-31H,12-13,15-17,19-21,23-24H2,1-2H3.

What are the key properties of [4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidin-1-yl]-(2-methylfuro[2,3-c]pyridin-7-yl)methanone?

[4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidin-1-yl]-(2-methylfuro[2,3-c]pyridin-7-yl)methanone has a molecular weight of 587.77 g/mol, XLogP of 7.23, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidin-1-yl]-(2-methylfuro[2,3-c]pyridin-7-yl)methanone is sourced from PubChem (CID 58727680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).