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

C30H41N3O6 — CID 59614166

IUPAC[(3R)-oxolan-3-yl] 5-methyl-1'-[8-[(3R)-oxolan-3-yl]oxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate
SMILESCc1ccc2c(c1)C1(CCN(C3CC4CCC(C3)N4C(=O)O[C@@H]3CCOC3)CC1)CN2C(=O)O[C@@H]1CCOC1
InChIInChI=1S/C30H41N3O6/c1-20-2-5-27-26(14-20)30(19-32(27)28(34)38-24-6-12-36-17-24)8-10-31(11-9-30)23-15-21-3-4-22(16-23)33(21)29(35)39-25-7-13-37-18-25/h2,5,14,21-25H,3-4,6-13,15-19H2,1H3/t21?,22?,23?,24-,25-/m1/s1
InChIKeyWLUGMZLHJFUSDU-FHZLSTAGSA-N
MW539.67 g/mol
LogP4.00
Rot. Bonds3

About [(3R)-oxolan-3-yl] 5-methyl-1'-[8-[(3R)-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-methyl-1'-[8-[(3R)-oxolan-3-yl]oxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate (PubChem CID 59614166) has the molecular formula C30H41N3O6 and a molecular weight of 539.67 g/mol. Its IUPAC name is [(3R)-oxolan-3-yl] 5-methyl-1'-[8-[(3R)-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-methyl-1'-[8-[(3R)-oxolan-3-yl]oxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate
PubChem CID59614166
Molecular FormulaC30H41N3O6
Molecular Weight539.67 g/mol
Exact Mass539.30
IUPAC Name[(3R)-oxolan-3-yl] 5-methyl-1'-[8-[(3R)-oxolan-3-yl]oxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate
SMILESCc1ccc2c(c1)C1(CCN(C3CC4CCC(C3)N4C(=O)O[C@@H]3CCOC3)CC1)CN2C(=O)O[C@@H]1CCOC1
InChIInChI=1S/C30H41N3O6/c1-20-2-5-27-26(14-20)30(19-32(27)28(34)38-24-6-12-36-17-24)8-10-31(11-9-30)23-15-21-3-4-22(16-23)33(21)29(35)39-25-7-13-37-18-25/h2,5,14,21-25H,3-4,6-13,15-19H2,1H3/t21?,22?,23?,24-,25-/m1/s1
InChIKeyWLUGMZLHJFUSDU-FHZLSTAGSA-N
XLogP4.00
TPSA80.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.67
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(3R)-oxolan-3-yl] 5-methyl-1'-[8-[(3R)-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-methyl-1'-[8-[(3R)-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-methyl-1'-[8-[(3R)-oxolan-3-yl]oxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate (CID 59614166) is [(3R)-oxolan-3-yl] 5-methyl-1'-[8-[(3R)-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-methyl-1'-[8-[(3R)-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-methyl-1'-[8-[(3R)-oxolan-3-yl]oxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate is Cc1ccc2c(c1)C1(CCN(C3CC4CCC(C3)N4C(=O)O[C@@H]3CCOC3)CC1)CN2C(=O)O[C@@H]1CCOC1.
What is the InChIKey of [(3R)-oxolan-3-yl] 5-methyl-1'-[8-[(3R)-oxolan-3-yl]oxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate?
The InChIKey is WLUGMZLHJFUSDU-FHZLSTAGSA-N. The full InChI is InChI=1S/C30H41N3O6/c1-20-2-5-27-26(14-20)30(19-32(27)28(34)38-24-6-12-36-17-24)8-10-31(11-9-30)23-15-21-3-4-22(16-23)33(21)29(35)39-25-7-13-37-18-25/h2,5,14,21-25H,3-4,6-13,15-19H2,1H3/t21?,22?,23?,24-,25-/m1/s1.
What are the key properties of [(3R)-oxolan-3-yl] 5-methyl-1'-[8-[(3R)-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-methyl-1'-[8-[(3R)-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 539.67 g/mol, XLogP of 4.00, 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-methyl-1'-[8-[(3R)-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 59614166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).