propan-2-yl 6-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxylate

C28H38FN3O3 — CID 70959422

About propan-2-yl 6-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxylate

propan-2-yl 6-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxylate (PubChem CID 70959422) has the molecular formula C28H38FN3O3 and a molecular weight of 483.63 g/mol. Its IUPAC name is propan-2-yl 6-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxylate.

Molecular Properties

• Compound Name: propan-2-yl 6-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxylate
• PubChem CID: 70959422
• Molecular Formula: C28H38FN3O3
• Molecular Weight: 483.63 g/mol
• Exact Mass: 483.29
• IUPAC Name: propan-2-yl 6-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxylate
• SMILES: CC(C)OC(=O)N1CCCC2CC(N3CCC4(CC3)CN(C(=O)C3CC3)c3ccc(F)cc34)CC21
• InChI: InChI=1S/C28H38FN3O3/c1-18(2)35-27(34)31-11-3-4-20-14-22(16-25(20)31)30-12-9-28(10-13-30)17-32(26(33)19-5-6-19)24-8-7-21(29)15-23(24)28/h7-8,15,18-20,22,25H,3-6,9-14,16-17H2,1-2H3
• InChIKey: HGLPTUAJSXRUOH-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 53.09 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.63
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 6-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxylate?

The IUPAC name of propan-2-yl 6-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxylate (CID 70959422) is propan-2-yl 6-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxylate.

What is the SMILES notation for propan-2-yl 6-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxylate?

The canonical SMILES for propan-2-yl 6-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxylate is CC(C)OC(=O)N1CCCC2CC(N3CCC4(CC3)CN(C(=O)C3CC3)c3ccc(F)cc34)CC21.

What is the InChIKey of propan-2-yl 6-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxylate?

The InChIKey is HGLPTUAJSXRUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38FN3O3/c1-18(2)35-27(34)31-11-3-4-20-14-22(16-25(20)31)30-12-9-28(10-13-30)17-32(26(33)19-5-6-19)24-8-7-21(29)15-23(24)28/h7-8,15,18-20,22,25H,3-6,9-14,16-17H2,1-2H3.

What are the key properties of propan-2-yl 6-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxylate?

propan-2-yl 6-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxylate has a molecular weight of 483.63 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl 6-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxylate is sourced from PubChem (CID 70959422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).