tert-butyl 4-oxo-2-phenyl-8-azaspiro[4.5]decane-8-carboxylate

C20H27NO3 — CID 59312198

IUPACtert-butyl 4-oxo-2-phenyl-8-azaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC(c1ccccc1)CC2=O
InChIInChI=1S/C20H27NO3/c1-19(2,3)24-18(23)21-11-9-20(10-12-21)14-16(13-17(20)22)15-7-5-4-6-8-15/h4-8,16H,9-14H2,1-3H3
InChIKeyQOJRNKIWGAUQBR-UHFFFAOYSA-N
MW329.44 g/mol
LogP4.15
Rot. Bonds1

About tert-butyl 4-oxo-2-phenyl-8-azaspiro[4.5]decane-8-carboxylate

tert-butyl 4-oxo-2-phenyl-8-azaspiro[4.5]decane-8-carboxylate (PubChem CID 59312198) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is tert-butyl 4-oxo-2-phenyl-8-azaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-oxo-2-phenyl-8-azaspiro[4.5]decane-8-carboxylate
PubChem CID59312198
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Nametert-butyl 4-oxo-2-phenyl-8-azaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC(c1ccccc1)CC2=O
InChIInChI=1S/C20H27NO3/c1-19(2,3)24-18(23)21-11-9-20(10-12-21)14-16(13-17(20)22)15-7-5-4-6-8-15/h4-8,16H,9-14H2,1-3H3
InChIKeyQOJRNKIWGAUQBR-UHFFFAOYSA-N
XLogP4.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-oxo-2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 59688382
tert-butyl 3-benzoyl-4-oxo-8-azaspiro[4.5]decane-8-carboxylate
CID 10784563
tert-butyl 2-(4-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 163836171
tert-butyl 1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate
CID 18673576
tert-butyl 3-phenylpiperidine-1-carboxylate
CID 57440165
tert-butyl (1R)-1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;hydrochloride
CID 70149448
tert-butyl spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,4'-piperidine]-1'-carboxylate
CID 146553615
tert-butyl (1S)-1-[[(1S)-1-phenylethyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;molecular hydrogen
CID 161257247
tert-butyl 2-(3-chlorophenyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 155882874
tert-butyl 4-phenyl-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxylate
CID 22741767
tert-butyl 2-(2-phenylcyclohexyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 167141572
tert-butyl 2-[(2-aminophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 45074121

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-oxo-2-phenyl-8-azaspiro[4.5]decane-8-carboxylate?
The IUPAC name of tert-butyl 4-oxo-2-phenyl-8-azaspiro[4.5]decane-8-carboxylate (CID 59312198) is tert-butyl 4-oxo-2-phenyl-8-azaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for tert-butyl 4-oxo-2-phenyl-8-azaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for tert-butyl 4-oxo-2-phenyl-8-azaspiro[4.5]decane-8-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)CC(c1ccccc1)CC2=O.
What is the InChIKey of tert-butyl 4-oxo-2-phenyl-8-azaspiro[4.5]decane-8-carboxylate?
The InChIKey is QOJRNKIWGAUQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-19(2,3)24-18(23)21-11-9-20(10-12-21)14-16(13-17(20)22)15-7-5-4-6-8-15/h4-8,16H,9-14H2,1-3H3.
What are the key properties of tert-butyl 4-oxo-2-phenyl-8-azaspiro[4.5]decane-8-carboxylate?
tert-butyl 4-oxo-2-phenyl-8-azaspiro[4.5]decane-8-carboxylate has a molecular weight of 329.44 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-oxo-2-phenyl-8-azaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 59312198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).