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

C29H38FN3O4 — CID 11511839

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

[(3R)-oxolan-3-yl] 3-[1-(cyclobutanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 11511839) has the molecular formula C29H38FN3O4 and a molecular weight of 511.64 g/mol. Its IUPAC name is [(3R)-oxolan-3-yl] 3-[1-(cyclobutanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

• Compound Name: [(3R)-oxolan-3-yl] 3-[1-(cyclobutanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
• PubChem CID: 11511839
• Molecular Formula: C29H38FN3O4
• Molecular Weight: 511.64 g/mol
• Exact Mass: 511.28
• IUPAC Name: [(3R)-oxolan-3-yl] 3-[1-(cyclobutanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
• SMILES: O=C(C1CCC1)N1CC2(CCN(C3CC4CCC(C3)N4C(=O)O[C@@H]3CCOC3)CC2)c2cc(F)ccc21
• InChI: InChI=1S/C29H38FN3O4/c30-20-4-7-26-25(14-20)29(18-32(26)27(34)19-2-1-3-19)9-11-31(12-10-29)23-15-21-5-6-22(16-23)33(21)28(35)37-24-8-13-36-17-24/h4,7,14,19,21-24H,1-3,5-6,8-13,15-18H2/t21?,22?,23?,24-/m1/s1
• InChIKey: WAZILVXBQARGES-YRTVTSRJSA-N
• XLogP: 4.23
• TPSA: 62.32 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.64
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of [(3R)-oxolan-3-yl] 3-[1-(cyclobutanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 11511839) is [(3R)-oxolan-3-yl] 3-[1-(cyclobutanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate.

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

The canonical SMILES for [(3R)-oxolan-3-yl] 3-[1-(cyclobutanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate is O=C(C1CCC1)N1CC2(CCN(C3CC4CCC(C3)N4C(=O)O[C@@H]3CCOC3)CC2)c2cc(F)ccc21.

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

The InChIKey is WAZILVXBQARGES-YRTVTSRJSA-N. The full InChI is InChI=1S/C29H38FN3O4/c30-20-4-7-26-25(14-20)29(18-32(26)27(34)19-2-1-3-19)9-11-31(12-10-29)23-15-21-5-6-22(16-23)33(21)28(35)37-24-8-13-36-17-24/h4,7,14,19,21-24H,1-3,5-6,8-13,15-18H2/t21?,22?,23?,24-/m1/s1.

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

[(3R)-oxolan-3-yl] 3-[1-(cyclobutanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 511.64 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R)-oxolan-3-yl] 3-[1-(cyclobutanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 11511839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).