[(3R)-oxolan-3-yl] 1'-(8-ethoxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate

C27H36FN3O5 — CID 11627477

About [(3R)-oxolan-3-yl] 1'-(8-ethoxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate

[(3R)-oxolan-3-yl] 1'-(8-ethoxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate (PubChem CID 11627477) has the molecular formula C27H36FN3O5 and a molecular weight of 501.60 g/mol. Its IUPAC name is [(3R)-oxolan-3-yl] 1'-(8-ethoxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate.

Molecular Properties

• Compound Name: [(3R)-oxolan-3-yl] 1'-(8-ethoxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate
• PubChem CID: 11627477
• Molecular Formula: C27H36FN3O5
• Molecular Weight: 501.60 g/mol
• Exact Mass: 501.26
• IUPAC Name: [(3R)-oxolan-3-yl] 1'-(8-ethoxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate
• SMILES: CCOC(=O)N1C2CCC1CC(N1CCC3(CC1)CN(C(=O)O[C@@H]1CCOC1)c1ccc(F)cc13)C2
• InChI: InChI=1S/C27H36FN3O5/c1-2-35-26(33)31-19-4-5-20(31)15-21(14-19)29-10-8-27(9-11-29)17-30(24-6-3-18(28)13-23(24)27)25(32)36-22-7-12-34-16-22/h3,6,13,19-22H,2,4-5,7-12,14-17H2,1H3/t19?,20?,21?,22-/m1/s1
• InChIKey: LNXBVWUTBDBOBQ-YMOXTTMHSA-N
• XLogP: 4.06
• TPSA: 71.55 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.60
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(3R)-oxolan-3-yl] 1'-(8-ethoxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate?

The IUPAC name of [(3R)-oxolan-3-yl] 1'-(8-ethoxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate (CID 11627477) is [(3R)-oxolan-3-yl] 1'-(8-ethoxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate.

What is the SMILES notation for [(3R)-oxolan-3-yl] 1'-(8-ethoxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate?

The canonical SMILES for [(3R)-oxolan-3-yl] 1'-(8-ethoxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate is CCOC(=O)N1C2CCC1CC(N1CCC3(CC1)CN(C(=O)O[C@@H]1CCOC1)c1ccc(F)cc13)C2.

What is the InChIKey of [(3R)-oxolan-3-yl] 1'-(8-ethoxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate?

The InChIKey is LNXBVWUTBDBOBQ-YMOXTTMHSA-N. The full InChI is InChI=1S/C27H36FN3O5/c1-2-35-26(33)31-19-4-5-20(31)15-21(14-19)29-10-8-27(9-11-29)17-30(24-6-3-18(28)13-23(24)27)25(32)36-22-7-12-34-16-22/h3,6,13,19-22H,2,4-5,7-12,14-17H2,1H3/t19?,20?,21?,22-/m1/s1.

What are the key properties of [(3R)-oxolan-3-yl] 1'-(8-ethoxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate?

[(3R)-oxolan-3-yl] 1'-(8-ethoxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate has a molecular weight of 501.60 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R)-oxolan-3-yl] 1'-(8-ethoxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate is sourced from PubChem (CID 11627477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).