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

C22H23NO3 — CID 178067886

IUPACbenzyl 4-oxospiro[2,3-dihydronaphthalene-1,4'-piperidine]-1'-carboxylate
SMILESO=C1CCC2(CCN(C(=O)OCc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C22H23NO3/c24-20-10-11-22(19-9-5-4-8-18(19)20)12-14-23(15-13-22)21(25)26-16-17-6-2-1-3-7-17/h1-9H,10-16H2
InChIKeyZLRZYLSPZBVNQW-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.33
Rot. Bonds2

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

benzyl 4-oxospiro[2,3-dihydronaphthalene-1,4'-piperidine]-1'-carboxylate (PubChem CID 178067886) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is benzyl 4-oxospiro[2,3-dihydronaphthalene-1,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Namebenzyl 4-oxospiro[2,3-dihydronaphthalene-1,4'-piperidine]-1'-carboxylate
PubChem CID178067886
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Namebenzyl 4-oxospiro[2,3-dihydronaphthalene-1,4'-piperidine]-1'-carboxylate
SMILESO=C1CCC2(CCN(C(=O)OCc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C22H23NO3/c24-20-10-11-22(19-9-5-4-8-18(19)20)12-14-23(15-13-22)21(25)26-16-17-6-2-1-3-7-17/h1-9H,10-16H2
InChIKeyZLRZYLSPZBVNQW-UHFFFAOYSA-N
XLogP4.33
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylate
CID 59433376
benzyl 3-ethyliminospiro[2H-indene-1,4'-piperidine]-1'-carboxylate
CID 70823758
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl (3R)-3-fluoro-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 121242240
benzyl piperidine-1-carboxylate
CID 158057698
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-amino-6-azaspiro[2.5]octane-6-carboxylate
CID 71302045
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 4-oxospiro[2,3-dihydronaphthalene-1,4'-piperidine]-1'-carboxylate?
The IUPAC name of benzyl 4-oxospiro[2,3-dihydronaphthalene-1,4'-piperidine]-1'-carboxylate (CID 178067886) is benzyl 4-oxospiro[2,3-dihydronaphthalene-1,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for benzyl 4-oxospiro[2,3-dihydronaphthalene-1,4'-piperidine]-1'-carboxylate?
The canonical SMILES for benzyl 4-oxospiro[2,3-dihydronaphthalene-1,4'-piperidine]-1'-carboxylate is O=C1CCC2(CCN(C(=O)OCc3ccccc3)CC2)c2ccccc21.
What is the InChIKey of benzyl 4-oxospiro[2,3-dihydronaphthalene-1,4'-piperidine]-1'-carboxylate?
The InChIKey is ZLRZYLSPZBVNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c24-20-10-11-22(19-9-5-4-8-18(19)20)12-14-23(15-13-22)21(25)26-16-17-6-2-1-3-7-17/h1-9H,10-16H2.
What are the key properties of benzyl 4-oxospiro[2,3-dihydronaphthalene-1,4'-piperidine]-1'-carboxylate?
benzyl 4-oxospiro[2,3-dihydronaphthalene-1,4'-piperidine]-1'-carboxylate has a molecular weight of 349.43 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-oxospiro[2,3-dihydronaphthalene-1,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 178067886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).