tert-butyl 1'-(2,2-diphenylacetyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate

C31H34N2O3 — CID 11352146

IUPACtert-butyl 1'-(2,2-diphenylacetyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C31H34N2O3/c1-30(2,3)36-29(35)33-22-31(25-16-10-11-17-26(25)33)18-20-32(21-19-31)28(34)27(23-12-6-4-7-13-23)24-14-8-5-9-15-24/h4-17,27H,18-22H2,1-3H3
InChIKeyHYWHXJZWATWNCY-UHFFFAOYSA-N
MW482.62 g/mol
LogP6.13
Rot. Bonds3

About tert-butyl 1'-(2,2-diphenylacetyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate

tert-butyl 1'-(2,2-diphenylacetyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate (PubChem CID 11352146) has the molecular formula C31H34N2O3 and a molecular weight of 482.62 g/mol. Its IUPAC name is tert-butyl 1'-(2,2-diphenylacetyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 1'-(2,2-diphenylacetyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate
PubChem CID11352146
Molecular FormulaC31H34N2O3
Molecular Weight482.62 g/mol
Exact Mass482.26
IUPAC Nametert-butyl 1'-(2,2-diphenylacetyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C31H34N2O3/c1-30(2,3)36-29(35)33-22-31(25-16-10-11-17-26(25)33)18-20-32(21-19-31)28(34)27(23-12-6-4-7-13-23)24-14-8-5-9-15-24/h4-17,27H,18-22H2,1-3H3
InChIKeyHYWHXJZWATWNCY-UHFFFAOYSA-N
XLogP6.13
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.62
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 1'-(2,2-diphenylacetyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate
CID 16617188
tert-butyl 1'-(3,6-dimethylcycloheptyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate;methanamine
CID 143533103
1-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,1'-cyclopropane]-7-carboxylic acid
CID 121383681
1-O-tert-butyl 1-O'-(5-carbamoyl-2-adamantyl) spiro[2H-indole-3,4'-piperidine]-1,1'-dicarboxylate
CID 58137263
1'-tert-butylspiro[2H-indole-3,4'-piperidine]-1-carboxylic acid
CID 67540864
tert-butyl 1'-[(3-methyl-2-bicyclo[3.3.1]nonanyl)carbamoyl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 71125884
1-(4,4-dimethoxypiperidin-1-yl)-2,2-diphenylethanone
CID 84579916
1'-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylic acid
CID 175853428
2-[4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroquinolin-4-yl]acetic acid
CID 82372106
tert-butyl N-(2-oxo-1-phenyl-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)carbamate
CID 67769577
tert-butyl spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,4'-piperidine]-1'-carboxylate
CID 146553615
tert-butyl 5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 143399561

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1'-(2,2-diphenylacetyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate?
The IUPAC name of tert-butyl 1'-(2,2-diphenylacetyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate (CID 11352146) is tert-butyl 1'-(2,2-diphenylacetyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate.
What is the SMILES notation for tert-butyl 1'-(2,2-diphenylacetyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate?
The canonical SMILES for tert-butyl 1'-(2,2-diphenylacetyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate is CC(C)(C)OC(=O)N1CC2(CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)c2ccccc21.
What is the InChIKey of tert-butyl 1'-(2,2-diphenylacetyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate?
The InChIKey is HYWHXJZWATWNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N2O3/c1-30(2,3)36-29(35)33-22-31(25-16-10-11-17-26(25)33)18-20-32(21-19-31)28(34)27(23-12-6-4-7-13-23)24-14-8-5-9-15-24/h4-17,27H,18-22H2,1-3H3.
What are the key properties of tert-butyl 1'-(2,2-diphenylacetyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate?
tert-butyl 1'-(2,2-diphenylacetyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate has a molecular weight of 482.62 g/mol, XLogP of 6.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1'-(2,2-diphenylacetyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate is sourced from PubChem (CID 11352146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).