tert-butyl (2'R,3S)-1'-benzyl-6'-oxospiro[indole-3,4'-piperidine]-2'-carboxylate

C24H26N2O3 — CID 101047658

IUPACtert-butyl (2'R,3S)-1'-benzyl-6'-oxospiro[indole-3,4'-piperidine]-2'-carboxylate
SMILESCC(C)(C)OC(=O)[C@H]1C[C@]2(C=Nc3ccccc32)CC(=O)N1Cc1ccccc1
InChIInChI=1S/C24H26N2O3/c1-23(2,3)29-22(28)20-13-24(16-25-19-12-8-7-11-18(19)24)14-21(27)26(20)15-17-9-5-4-6-10-17/h4-12,16,20H,13-15H2,1-3H3/t20-,24-/m1/s1
InChIKeyDNNPDBGPSDLOOV-HYBUGGRVSA-N
MW390.48 g/mol
LogP4.17
Rot. Bonds3

About tert-butyl (2'R,3S)-1'-benzyl-6'-oxospiro[indole-3,4'-piperidine]-2'-carboxylate

tert-butyl (2'R,3S)-1'-benzyl-6'-oxospiro[indole-3,4'-piperidine]-2'-carboxylate (PubChem CID 101047658) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is tert-butyl (2'R,3S)-1'-benzyl-6'-oxospiro[indole-3,4'-piperidine]-2'-carboxylate.

Molecular Properties

Compound Nametert-butyl (2'R,3S)-1'-benzyl-6'-oxospiro[indole-3,4'-piperidine]-2'-carboxylate
PubChem CID101047658
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Nametert-butyl (2'R,3S)-1'-benzyl-6'-oxospiro[indole-3,4'-piperidine]-2'-carboxylate
SMILESCC(C)(C)OC(=O)[C@H]1C[C@]2(C=Nc3ccccc32)CC(=O)N1Cc1ccccc1
InChIInChI=1S/C24H26N2O3/c1-23(2,3)29-22(28)20-13-24(16-25-19-12-8-7-11-18(19)24)14-21(27)26(20)15-17-9-5-4-6-10-17/h4-12,16,20H,13-15H2,1-3H3/t20-,24-/m1/s1
InChIKeyDNNPDBGPSDLOOV-HYBUGGRVSA-N
XLogP4.17
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl (2'R,3S)-1'-benzyl-6'-oxospiro[indole-3,4'-piperidine]-2'-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 tert-butyl (2'R,3S)-1'-benzyl-6'-oxospiro[indole-3,4'-piperidine]-2'-carboxylate?
The IUPAC name of tert-butyl (2'R,3S)-1'-benzyl-6'-oxospiro[indole-3,4'-piperidine]-2'-carboxylate (CID 101047658) is tert-butyl (2'R,3S)-1'-benzyl-6'-oxospiro[indole-3,4'-piperidine]-2'-carboxylate.
What is the SMILES notation for tert-butyl (2'R,3S)-1'-benzyl-6'-oxospiro[indole-3,4'-piperidine]-2'-carboxylate?
The canonical SMILES for tert-butyl (2'R,3S)-1'-benzyl-6'-oxospiro[indole-3,4'-piperidine]-2'-carboxylate is CC(C)(C)OC(=O)[C@H]1C[C@]2(C=Nc3ccccc32)CC(=O)N1Cc1ccccc1.
What is the InChIKey of tert-butyl (2'R,3S)-1'-benzyl-6'-oxospiro[indole-3,4'-piperidine]-2'-carboxylate?
The InChIKey is DNNPDBGPSDLOOV-HYBUGGRVSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-23(2,3)29-22(28)20-13-24(16-25-19-12-8-7-11-18(19)24)14-21(27)26(20)15-17-9-5-4-6-10-17/h4-12,16,20H,13-15H2,1-3H3/t20-,24-/m1/s1.
What are the key properties of tert-butyl (2'R,3S)-1'-benzyl-6'-oxospiro[indole-3,4'-piperidine]-2'-carboxylate?
tert-butyl (2'R,3S)-1'-benzyl-6'-oxospiro[indole-3,4'-piperidine]-2'-carboxylate has a molecular weight of 390.48 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2'R,3S)-1'-benzyl-6'-oxospiro[indole-3,4'-piperidine]-2'-carboxylate is sourced from PubChem (CID 101047658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).