benzyl 3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylate

C21H21NO3 — CID 59433376

IUPACbenzyl 3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylate
SMILESO=C1CC2(CCN(C(=O)OCc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C21H21NO3/c23-19-14-21(18-9-5-4-8-17(18)19)10-12-22(13-11-21)20(24)25-15-16-6-2-1-3-7-16/h1-9H,10-15H2
InChIKeyQCXFRICPLQOHKM-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.94
Rot. Bonds2

About benzyl 3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylate

benzyl 3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylate (PubChem CID 59433376) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is benzyl 3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Namebenzyl 3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylate
PubChem CID59433376
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Namebenzyl 3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylate
SMILESO=C1CC2(CCN(C(=O)OCc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C21H21NO3/c23-19-14-21(18-9-5-4-8-17(18)19)10-12-22(13-11-21)20(24)25-15-16-6-2-1-3-7-16/h1-9H,10-15H2
InChIKeyQCXFRICPLQOHKM-UHFFFAOYSA-N
XLogP3.94
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 4-oxospiro[2,3-dihydronaphthalene-1,4'-piperidine]-1'-carboxylate
CID 178067886
benzyl 3-ethyliminospiro[2H-indene-1,4'-piperidine]-1'-carboxylate
CID 70823758
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 4-[2-(2,6-dimethylphenyl)phenyl]-4-hydroxypiperidine-1-carboxylate
CID 143194856
benzyl 4-hydroxy-4-(2-methylsulfanylphenyl)piperidine-1-carboxylate
CID 18786306
benzyl spiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylate
CID 162726920
benzyl 2-(cyanomethyl)-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 21275427
benzyl 2-amino-6-azaspiro[2.5]octane-6-carboxylate
CID 71302045
benzyl (3R)-3-fluoro-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 121242240
benzyl 4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate;ethane
CID 143991995
benzyl 2-(hydroxymethyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 135393412

Frequently Asked Questions

What is the IUPAC name of benzyl 3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylate?
The IUPAC name of benzyl 3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylate (CID 59433376) is benzyl 3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for benzyl 3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylate?
The canonical SMILES for benzyl 3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylate is O=C1CC2(CCN(C(=O)OCc3ccccc3)CC2)c2ccccc21.
What is the InChIKey of benzyl 3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylate?
The InChIKey is QCXFRICPLQOHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c23-19-14-21(18-9-5-4-8-17(18)19)10-12-22(13-11-21)20(24)25-15-16-6-2-1-3-7-16/h1-9H,10-15H2.
What are the key properties of benzyl 3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylate?
benzyl 3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylate has a molecular weight of 335.40 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 59433376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).