tert-butyl N-(2-oxo-1-phenyl-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)carbamate

C26H32N2O3 — CID 67769577

IUPACtert-butyl N-(2-oxo-1-phenyl-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)carbamate
SMILESCC(C)(C)OC(=O)NC(C(=O)N1CCC2(CCc3ccccc32)CC1)c1ccccc1
InChIInChI=1S/C26H32N2O3/c1-25(2,3)31-24(30)27-22(20-10-5-4-6-11-20)23(29)28-17-15-26(16-18-28)14-13-19-9-7-8-12-21(19)26/h4-12,22H,13-18H2,1-3H3,(H,27,30)
InChIKeySRAZSAWIVJSBAM-UHFFFAOYSA-N
MW420.55 g/mol
LogP4.76
Rot. Bonds3

About tert-butyl N-(2-oxo-1-phenyl-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)carbamate

tert-butyl N-(2-oxo-1-phenyl-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)carbamate (PubChem CID 67769577) has the molecular formula C26H32N2O3 and a molecular weight of 420.55 g/mol. Its IUPAC name is tert-butyl N-(2-oxo-1-phenyl-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-oxo-1-phenyl-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)carbamate
PubChem CID67769577
Molecular FormulaC26H32N2O3
Molecular Weight420.55 g/mol
Exact Mass420.24
IUPAC Nametert-butyl N-(2-oxo-1-phenyl-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)carbamate
SMILESCC(C)(C)OC(=O)NC(C(=O)N1CCC2(CCc3ccccc32)CC1)c1ccccc1
InChIInChI=1S/C26H32N2O3/c1-25(2,3)31-24(30)27-22(20-10-5-4-6-11-20)23(29)28-17-15-26(16-18-28)14-13-19-9-7-8-12-21(19)26/h4-12,22H,13-18H2,1-3H3,(H,27,30)
InChIKeySRAZSAWIVJSBAM-UHFFFAOYSA-N
XLogP4.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.55
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-(2-oxo-1-phenyl-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)carbamate with MolForge

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Related Compounds

tert-butyl N-[2-methyl-1-oxo-1-[[(2R)-1-oxo-5-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpentan-2-yl]amino]propan-2-yl]carbamate
CID 67612703
spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid
CID 66954084
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetic acid;hydrochloride
CID 13017724
phenyl N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]carbamate
CID 110287044
tert-butyl N-(3,3-dimethyl-2-oxo-1-phenylbutyl)carbamate
CID 15864552
2-amino-2-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]propanamide;hydrochloride
CID 22867367
tert-butyl spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,4'-piperidine]-1'-carboxylate
CID 146553615
tert-butyl N-[(1S)-2-[4-(3,4-difluorophenoxy)piperidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 86760587
tert-butyl N-[2-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-2-oxo-1-phenylethyl]carbamate
CID 110605984
tert-butyl 1'-(2,2-diphenylacetyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 11352146
1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid
CID 2733195
tert-butyl N-[(1S)-2-[4-[cyano(pyridin-3-yl)methyl]piperidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 22853652

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-oxo-1-phenyl-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)carbamate?
The IUPAC name of tert-butyl N-(2-oxo-1-phenyl-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)carbamate (CID 67769577) is tert-butyl N-(2-oxo-1-phenyl-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-oxo-1-phenyl-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)carbamate?
The canonical SMILES for tert-butyl N-(2-oxo-1-phenyl-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)carbamate is CC(C)(C)OC(=O)NC(C(=O)N1CCC2(CCc3ccccc32)CC1)c1ccccc1.
What is the InChIKey of tert-butyl N-(2-oxo-1-phenyl-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)carbamate?
The InChIKey is SRAZSAWIVJSBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O3/c1-25(2,3)31-24(30)27-22(20-10-5-4-6-11-20)23(29)28-17-15-26(16-18-28)14-13-19-9-7-8-12-21(19)26/h4-12,22H,13-18H2,1-3H3,(H,27,30).
What are the key properties of tert-butyl N-(2-oxo-1-phenyl-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)carbamate?
tert-butyl N-(2-oxo-1-phenyl-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)carbamate has a molecular weight of 420.55 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-oxo-1-phenyl-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)carbamate is sourced from PubChem (CID 67769577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).