molecular hydrogen;[(3S)-oxolan-3-yl] 3-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate

C24H35N3O4 — CID 161256177

IUPACmolecular hydrogen;[(3S)-oxolan-3-yl] 3-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESO=C(O[C@H]1CCOC1)N1C2CCC1CC(N1CCC3(CC1)C(=O)Nc1ccccc13)C2.[H][H].[H][H]
InChIInChI=1S/C24H31N3O4.2H2/c28-22-24(20-3-1-2-4-21(20)25-22)8-10-26(11-9-24)18-13-16-5-6-17(14-18)27(16)23(29)31-19-7-12-30-15-19;;/h1-4,16-19H,5-15H2,(H,25,28);2*1H/t16?,17?,18?,19-;;/m0../s1
InChIKeyVBYGCSGUZOHVHX-ADEIJBMHSA-N
MW429.56 g/mol
LogP3.39
Rot. Bonds2

About molecular hydrogen;[(3S)-oxolan-3-yl] 3-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate

molecular hydrogen;[(3S)-oxolan-3-yl] 3-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 161256177) has the molecular formula C24H35N3O4 and a molecular weight of 429.56 g/mol. Its IUPAC name is molecular hydrogen;[(3S)-oxolan-3-yl] 3-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Namemolecular hydrogen;[(3S)-oxolan-3-yl] 3-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID161256177
Molecular FormulaC24H35N3O4
Molecular Weight429.56 g/mol
Exact Mass429.26
IUPAC Namemolecular hydrogen;[(3S)-oxolan-3-yl] 3-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESO=C(O[C@H]1CCOC1)N1C2CCC1CC(N1CCC3(CC1)C(=O)Nc1ccccc13)C2.[H][H].[H][H]
InChIInChI=1S/C24H31N3O4.2H2/c28-22-24(20-3-1-2-4-21(20)25-22)8-10-26(11-9-24)18-13-16-5-6-17(14-18)27(16)23(29)31-19-7-12-30-15-19;;/h1-4,16-19H,5-15H2,(H,25,28);2*1H/t16?,17?,18?,19-;;/m0../s1
InChIKeyVBYGCSGUZOHVHX-ADEIJBMHSA-N
XLogP3.39
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze molecular hydrogen;[(3S)-oxolan-3-yl] 3-(2-oxospiro[1H-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 molecular hydrogen;[(3S)-oxolan-3-yl] 3-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of molecular hydrogen;[(3S)-oxolan-3-yl] 3-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 161256177) is molecular hydrogen;[(3S)-oxolan-3-yl] 3-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for molecular hydrogen;[(3S)-oxolan-3-yl] 3-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for molecular hydrogen;[(3S)-oxolan-3-yl] 3-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate is O=C(O[C@H]1CCOC1)N1C2CCC1CC(N1CCC3(CC1)C(=O)Nc1ccccc13)C2.[H][H].[H][H].
What is the InChIKey of molecular hydrogen;[(3S)-oxolan-3-yl] 3-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is VBYGCSGUZOHVHX-ADEIJBMHSA-N. The full InChI is InChI=1S/C24H31N3O4.2H2/c28-22-24(20-3-1-2-4-21(20)25-22)8-10-26(11-9-24)18-13-16-5-6-17(14-18)27(16)23(29)31-19-7-12-30-15-19;;/h1-4,16-19H,5-15H2,(H,25,28);2*1H/t16?,17?,18?,19-;;/m0../s1.
What are the key properties of molecular hydrogen;[(3S)-oxolan-3-yl] 3-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
molecular hydrogen;[(3S)-oxolan-3-yl] 3-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 429.56 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;[(3S)-oxolan-3-yl] 3-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 161256177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).