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

C28H36FN3O4 — CID 11576906

IUPAC[(3S)-oxolan-3-yl] 3-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESO=C(C1CC1)N1CC2(CCN(C3CC4CCC(C3)N4C(=O)O[C@H]3CCOC3)CC2)c2cc(F)ccc21
InChIInChI=1S/C28H36FN3O4/c29-19-3-6-25-24(13-19)28(17-31(25)26(33)18-1-2-18)8-10-30(11-9-28)22-14-20-4-5-21(15-22)32(20)27(34)36-23-7-12-35-16-23/h3,6,13,18,20-23H,1-2,4-5,7-12,14-17H2/t20?,21?,22?,23-/m0/s1
InChIKeyYAUXSGPISIHCAG-JVLTXYAPSA-N
MW497.61 g/mol
LogP3.84
Rot. Bonds3

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

[(3S)-oxolan-3-yl] 3-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 11576906) has the molecular formula C28H36FN3O4 and a molecular weight of 497.61 g/mol. Its IUPAC name is [(3S)-oxolan-3-yl] 3-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Name[(3S)-oxolan-3-yl] 3-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID11576906
Molecular FormulaC28H36FN3O4
Molecular Weight497.61 g/mol
Exact Mass497.27
IUPAC Name[(3S)-oxolan-3-yl] 3-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESO=C(C1CC1)N1CC2(CCN(C3CC4CCC(C3)N4C(=O)O[C@H]3CCOC3)CC2)c2cc(F)ccc21
InChIInChI=1S/C28H36FN3O4/c29-19-3-6-25-24(13-19)28(17-31(25)26(33)18-1-2-18)8-10-30(11-9-28)22-14-20-4-5-21(15-22)32(20)27(34)36-23-7-12-35-16-23/h3,6,13,18,20-23H,1-2,4-5,7-12,14-17H2/t20?,21?,22?,23-/m0/s1
InChIKeyYAUXSGPISIHCAG-JVLTXYAPSA-N
XLogP3.84
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.61
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3S)-oxolan-3-yl] 3-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3S)-oxolan-3-yl] 3-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of [(3S)-oxolan-3-yl] 3-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 11576906) is [(3S)-oxolan-3-yl] 3-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for [(3S)-oxolan-3-yl] 3-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for [(3S)-oxolan-3-yl] 3-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate is O=C(C1CC1)N1CC2(CCN(C3CC4CCC(C3)N4C(=O)O[C@H]3CCOC3)CC2)c2cc(F)ccc21.
What is the InChIKey of [(3S)-oxolan-3-yl] 3-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is YAUXSGPISIHCAG-JVLTXYAPSA-N. The full InChI is InChI=1S/C28H36FN3O4/c29-19-3-6-25-24(13-19)28(17-31(25)26(33)18-1-2-18)8-10-30(11-9-28)22-14-20-4-5-21(15-22)32(20)27(34)36-23-7-12-35-16-23/h3,6,13,18,20-23H,1-2,4-5,7-12,14-17H2/t20?,21?,22?,23-/m0/s1.
What are the key properties of [(3S)-oxolan-3-yl] 3-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate?
[(3S)-oxolan-3-yl] 3-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 497.61 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-oxolan-3-yl] 3-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 11576906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).