[(3R)-oxolan-3-yl] 5-fluoro-1'-[8-[(3S)-oxolan-3-yl]oxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate

C29H38FN3O6 — CID 11526754

IUPAC[(3R)-oxolan-3-yl] 5-fluoro-1'-[8-[(3S)-oxolan-3-yl]oxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate
SMILESO=C(O[C@@H]1CCOC1)N1CC2(CCN(C3CC4CCC(C3)N4C(=O)O[C@H]3CCOC3)CC2)c2cc(F)ccc21
InChIInChI=1S/C29H38FN3O6/c30-19-1-4-26-25(13-19)29(18-32(26)27(34)38-23-5-11-36-16-23)7-9-31(10-8-29)22-14-20-2-3-21(15-22)33(20)28(35)39-24-6-12-37-17-24/h1,4,13,20-24H,2-3,5-12,14-18H2/t20?,21?,22?,23-,24+/m1/s1
InChIKeyQOGHKFZWBFWUTB-IFMONBOOSA-N
MW543.64 g/mol
LogP3.83
Rot. Bonds3

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

[(3R)-oxolan-3-yl] 5-fluoro-1'-[8-[(3S)-oxolan-3-yl]oxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate (PubChem CID 11526754) has the molecular formula C29H38FN3O6 and a molecular weight of 543.64 g/mol. Its IUPAC name is [(3R)-oxolan-3-yl] 5-fluoro-1'-[8-[(3S)-oxolan-3-yl]oxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate.

Molecular Properties

Compound Name[(3R)-oxolan-3-yl] 5-fluoro-1'-[8-[(3S)-oxolan-3-yl]oxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate
PubChem CID11526754
Molecular FormulaC29H38FN3O6
Molecular Weight543.64 g/mol
Exact Mass543.27
IUPAC Name[(3R)-oxolan-3-yl] 5-fluoro-1'-[8-[(3S)-oxolan-3-yl]oxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate
SMILESO=C(O[C@@H]1CCOC1)N1CC2(CCN(C3CC4CCC(C3)N4C(=O)O[C@H]3CCOC3)CC2)c2cc(F)ccc21
InChIInChI=1S/C29H38FN3O6/c30-19-1-4-26-25(13-19)29(18-32(26)27(34)38-23-5-11-36-16-23)7-9-31(10-8-29)22-14-20-2-3-21(15-22)33(20)28(35)39-24-6-12-37-17-24/h1,4,13,20-24H,2-3,5-12,14-18H2/t20?,21?,22?,23-,24+/m1/s1
InChIKeyQOGHKFZWBFWUTB-IFMONBOOSA-N
XLogP3.83
TPSA80.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.64
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(3R)-oxolan-3-yl] 5-fluoro-1'-[8-[(3S)-oxolan-3-yl]oxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3R)-oxolan-3-yl] 5-fluoro-1'-[8-[(3S)-oxolan-3-yl]oxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate?
The IUPAC name of [(3R)-oxolan-3-yl] 5-fluoro-1'-[8-[(3S)-oxolan-3-yl]oxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate (CID 11526754) is [(3R)-oxolan-3-yl] 5-fluoro-1'-[8-[(3S)-oxolan-3-yl]oxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate.
What is the SMILES notation for [(3R)-oxolan-3-yl] 5-fluoro-1'-[8-[(3S)-oxolan-3-yl]oxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate?
The canonical SMILES for [(3R)-oxolan-3-yl] 5-fluoro-1'-[8-[(3S)-oxolan-3-yl]oxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate is O=C(O[C@@H]1CCOC1)N1CC2(CCN(C3CC4CCC(C3)N4C(=O)O[C@H]3CCOC3)CC2)c2cc(F)ccc21.
What is the InChIKey of [(3R)-oxolan-3-yl] 5-fluoro-1'-[8-[(3S)-oxolan-3-yl]oxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate?
The InChIKey is QOGHKFZWBFWUTB-IFMONBOOSA-N. The full InChI is InChI=1S/C29H38FN3O6/c30-19-1-4-26-25(13-19)29(18-32(26)27(34)38-23-5-11-36-16-23)7-9-31(10-8-29)22-14-20-2-3-21(15-22)33(20)28(35)39-24-6-12-37-17-24/h1,4,13,20-24H,2-3,5-12,14-18H2/t20?,21?,22?,23-,24+/m1/s1.
What are the key properties of [(3R)-oxolan-3-yl] 5-fluoro-1'-[8-[(3S)-oxolan-3-yl]oxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate?
[(3R)-oxolan-3-yl] 5-fluoro-1'-[8-[(3S)-oxolan-3-yl]oxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate has a molecular weight of 543.64 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-oxolan-3-yl] 5-fluoro-1'-[8-[(3S)-oxolan-3-yl]oxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate is sourced from PubChem (CID 11526754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).