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

C26H34FN3O5 — CID 59433733

IUPACmethyl 5-fluoro-1'-[8-[(3R)-oxolan-3-yl]oxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate
SMILESCOC(=O)N1CC2(CCN(C3CC4CCC(C3)N4C(=O)O[C@@H]3CCOC3)CC2)c2cc(F)ccc21
InChIInChI=1S/C26H34FN3O5/c1-33-24(31)29-16-26(22-12-17(27)2-5-23(22)29)7-9-28(10-8-26)20-13-18-3-4-19(14-20)30(18)25(32)35-21-6-11-34-15-21/h2,5,12,18-21H,3-4,6-11,13-16H2,1H3/t18?,19?,20?,21-/m1/s1
InChIKeyRQQSMBLXZYDVAX-YGHZMKOFSA-N
MW487.57 g/mol
LogP3.67
Rot. Bonds2

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

methyl 5-fluoro-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 59433733) has the molecular formula C26H34FN3O5 and a molecular weight of 487.57 g/mol. Its IUPAC name is methyl 5-fluoro-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 Namemethyl 5-fluoro-1'-[8-[(3R)-oxolan-3-yl]oxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate
PubChem CID59433733
Molecular FormulaC26H34FN3O5
Molecular Weight487.57 g/mol
Exact Mass487.25
IUPAC Namemethyl 5-fluoro-1'-[8-[(3R)-oxolan-3-yl]oxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate
SMILESCOC(=O)N1CC2(CCN(C3CC4CCC(C3)N4C(=O)O[C@@H]3CCOC3)CC2)c2cc(F)ccc21
InChIInChI=1S/C26H34FN3O5/c1-33-24(31)29-16-26(22-12-17(27)2-5-23(22)29)7-9-28(10-8-26)20-13-18-3-4-19(14-20)30(18)25(32)35-21-6-11-34-15-21/h2,5,12,18-21H,3-4,6-11,13-16H2,1H3/t18?,19?,20?,21-/m1/s1
InChIKeyRQQSMBLXZYDVAX-YGHZMKOFSA-N
XLogP3.67
TPSA71.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.57
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 5-fluoro-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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Related Compounds

[(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
molecular hydrogen;[(3S)-oxolan-3-yl] 5-fluoro-1'-(9-propan-2-yloxycarbonyl-9-azabicyclo[3.3.1]nonan-3-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 157088200
[(3R)-oxolan-3-yl] 5-fluoro-1'-[3-(propan-2-yloxycarbonylamino)cycloheptyl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 70957728
oxolan-3-yl 1'-(1-ethoxycarbonylpiperidin-4-yl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 59613139
ethyl 3-[5-fluoro-1-[fluoro-[(3R)-oxolan-3-yl]oxymethyl]spiro[2H-indole-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate;molecular hydrogen
CID 159309008
molecular hydrogen;[(3R)-oxolan-3-yl] 5-fluoro-1'-(2-propan-2-yloxycarbonyl-2-azatricyclo[4.3.0.01,3]nonan-8-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 160708585
molecular hydrogen;[(3R)-oxolan-3-yl] N-[3-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]cycloheptyl]carbamate
CID 158162011
molecular hydrogen;[(3S)-oxolan-3-yl] 4-(1-acetylspiro[2H-indole-3,4'-piperidine]-1'-yl)-10-azabicyclo[5.2.1]decane-10-carboxylate
CID 158586072
[(3R)-oxolan-3-yl] N-[3-[1-(1,5-dimethylpyrazole-3-carbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]cycloheptyl]carbamate
CID 70957661
methyl 1'-[3-(ethoxycarbonylamino)cycloheptyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 70957630
tert-butyl 5-fluoro-1'-(8-phenylmethoxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 59433302
but-2-enyl 3-[1-(dimethylcarbamoyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 59433824

Frequently Asked Questions

What is the IUPAC name of methyl 5-fluoro-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 methyl 5-fluoro-1'-[8-[(3R)-oxolan-3-yl]oxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate (CID 59433733) is methyl 5-fluoro-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 methyl 5-fluoro-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 methyl 5-fluoro-1'-[8-[(3R)-oxolan-3-yl]oxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate is COC(=O)N1CC2(CCN(C3CC4CCC(C3)N4C(=O)O[C@@H]3CCOC3)CC2)c2cc(F)ccc21.
What is the InChIKey of methyl 5-fluoro-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 RQQSMBLXZYDVAX-YGHZMKOFSA-N. The full InChI is InChI=1S/C26H34FN3O5/c1-33-24(31)29-16-26(22-12-17(27)2-5-23(22)29)7-9-28(10-8-26)20-13-18-3-4-19(14-20)30(18)25(32)35-21-6-11-34-15-21/h2,5,12,18-21H,3-4,6-11,13-16H2,1H3/t18?,19?,20?,21-/m1/s1.
What are the key properties of methyl 5-fluoro-1'-[8-[(3R)-oxolan-3-yl]oxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate?
methyl 5-fluoro-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 487.57 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-fluoro-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 59433733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).