tert-butyl (3R,3'R)-3'-ethenylspiro[indole-3,4'-piperidine]-1'-carboxylate

C19H24N2O2 — CID 135067536

IUPACtert-butyl (3R,3'R)-3'-ethenylspiro[indole-3,4'-piperidine]-1'-carboxylate
SMILESC=C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12C=Nc1ccccc12
InChIInChI=1S/C19H24N2O2/c1-5-14-12-21(17(22)23-18(2,3)4)11-10-19(14)13-20-16-9-7-6-8-15(16)19/h5-9,13-14H,1,10-12H2,2-4H3/t14-,19+/m0/s1
InChIKeyLSXSWEVYHXGILO-IFXJQAMLSA-N
MW312.41 g/mol
LogP4.08
Rot. Bonds1

About tert-butyl (3R,3'R)-3'-ethenylspiro[indole-3,4'-piperidine]-1'-carboxylate

tert-butyl (3R,3'R)-3'-ethenylspiro[indole-3,4'-piperidine]-1'-carboxylate (PubChem CID 135067536) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is tert-butyl (3R,3'R)-3'-ethenylspiro[indole-3,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,3'R)-3'-ethenylspiro[indole-3,4'-piperidine]-1'-carboxylate
PubChem CID135067536
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Nametert-butyl (3R,3'R)-3'-ethenylspiro[indole-3,4'-piperidine]-1'-carboxylate
SMILESC=C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12C=Nc1ccccc12
InChIInChI=1S/C19H24N2O2/c1-5-14-12-21(17(22)23-18(2,3)4)11-10-19(14)13-20-16-9-7-6-8-15(16)19/h5-9,13-14H,1,10-12H2,2-4H3/t14-,19+/m0/s1
InChIKeyLSXSWEVYHXGILO-IFXJQAMLSA-N
XLogP4.08
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-Butyl 4-(4-aminobenzyl)piperidine-1-carboxylate
CID 21876872
tert-Butyl 4-(4-aminophenyl)piperidine-1-carboxylate
CID 21940085
tert-Butyl 4-(3-aminophenyl)piperidine-1-carboxylate
CID 22049268
tert-Butyl 4-(2-aminophenyl)piperidine-1-carboxylate
CID 22266191
tert-Butyl 4-(3-aminobenzyl)piperidine-1-carboxylate
CID 71439597
Tert-butyl 4-[4-(dimethylamino)phenyl]piperidine-1-carboxylate
CID 134473416
Spiro[3H-indole-3,4'-piperidine], 1'-acetyl-
CID 370424
tert-butyl (2'S)-4'-ethenyl-2'-(4-fluorophenyl)spiro[indole-3,3'-pyrrolidine]-1'-carboxylate
CID 134955311
tert-butyl 2'-(trifluoromethyl)spiro[2H-pyrrole-3,3'-indole]-1-carboxylate
CID 135026078
(S)-tert-Butyl 3-(4-aminophenyl)piperidine-1-carboxylate
CID 40427559
1-Boc-3-(4-Aminophenyl)piperidine
CID 44607626
tert-butyl 5-fluoro-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 59004058

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,3'R)-3'-ethenylspiro[indole-3,4'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl (3R,3'R)-3'-ethenylspiro[indole-3,4'-piperidine]-1'-carboxylate (CID 135067536) is tert-butyl (3R,3'R)-3'-ethenylspiro[indole-3,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl (3R,3'R)-3'-ethenylspiro[indole-3,4'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl (3R,3'R)-3'-ethenylspiro[indole-3,4'-piperidine]-1'-carboxylate is C=C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12C=Nc1ccccc12.
What is the InChIKey of tert-butyl (3R,3'R)-3'-ethenylspiro[indole-3,4'-piperidine]-1'-carboxylate?
The InChIKey is LSXSWEVYHXGILO-IFXJQAMLSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-5-14-12-21(17(22)23-18(2,3)4)11-10-19(14)13-20-16-9-7-6-8-15(16)19/h5-9,13-14H,1,10-12H2,2-4H3/t14-,19+/m0/s1.
What are the key properties of tert-butyl (3R,3'R)-3'-ethenylspiro[indole-3,4'-piperidine]-1'-carboxylate?
tert-butyl (3R,3'R)-3'-ethenylspiro[indole-3,4'-piperidine]-1'-carboxylate has a molecular weight of 312.41 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,3'R)-3'-ethenylspiro[indole-3,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 135067536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).