tert-butyl (5R)-10-benzyl-11-oxo-1,10-diazaspiro[4.6]undecane-1-carboxylate

C21H30N2O3 — CID 102146444

IUPACtert-butyl (5R)-10-benzyl-11-oxo-1,10-diazaspiro[4.6]undecane-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@]12CCCCN(Cc1ccccc1)C2=O
InChIInChI=1S/C21H30N2O3/c1-20(2,3)26-19(25)23-15-9-13-21(23)12-7-8-14-22(18(21)24)16-17-10-5-4-6-11-17/h4-6,10-11H,7-9,12-16H2,1-3H3/t21-/m1/s1
InChIKeyQPXCZFGZQMKRSA-OAQYLSRUSA-N
MW358.48 g/mol
LogP3.97
Rot. Bonds2

About tert-butyl (5R)-10-benzyl-11-oxo-1,10-diazaspiro[4.6]undecane-1-carboxylate

tert-butyl (5R)-10-benzyl-11-oxo-1,10-diazaspiro[4.6]undecane-1-carboxylate (PubChem CID 102146444) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is tert-butyl (5R)-10-benzyl-11-oxo-1,10-diazaspiro[4.6]undecane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (5R)-10-benzyl-11-oxo-1,10-diazaspiro[4.6]undecane-1-carboxylate
PubChem CID102146444
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Nametert-butyl (5R)-10-benzyl-11-oxo-1,10-diazaspiro[4.6]undecane-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@]12CCCCN(Cc1ccccc1)C2=O
InChIInChI=1S/C21H30N2O3/c1-20(2,3)26-19(25)23-15-9-13-21(23)12-7-8-14-22(18(21)24)16-17-10-5-4-6-11-17/h4-6,10-11H,7-9,12-16H2,1-3H3/t21-/m1/s1
InChIKeyQPXCZFGZQMKRSA-OAQYLSRUSA-N
XLogP3.97
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl (5R)-10-benzyl-11-oxo-1,10-diazaspiro[4.6]undecane-1-carboxylate with MolForge

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Related Compounds

2-[(5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetic acid
CID 24805629
9-benzyl-1-[1-(methoxymethyl)cyclobutanecarbonyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162635914
tert-butyl 9-benzyl-1,9-diazaspiro[5.5]undecane-1-carboxylate
CID 66545135
2-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 152697309
tert-butyl (5R)-6-oxo-7-[(1R)-1-phenylethyl]-1,7-diazaspiro[4.4]nonane-1-carboxylate
CID 73013452
9-benzyl-1-(3-hydroxybenzoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 157015677
9-benzyl-N-(4-ethylphenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide
CID 162631678
tert-butyl (3S)-1-benzyl-3-hydroxy-2-oxopyrrolidine-3-carboxylate
CID 101479674
tert-butyl 1,3-dibenzyl-2-oxopyrrolidine-3-carboxylate
CID 142723670
tert-butyl 2-[(2S,3R)-1-(benzylamino)-3-hydroxy-1-oxobutan-2-yl]-3-oxo-5-azaspiro[3.4]octane-5-carboxylate
CID 122594375
9-benzyl-1-(4-fluoro-3-methylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162625491
tert-butyl (2R)-2-methyl-2-phenylpiperidine-1-carboxylate
CID 102345334

Frequently Asked Questions

What is the IUPAC name of tert-butyl (5R)-10-benzyl-11-oxo-1,10-diazaspiro[4.6]undecane-1-carboxylate?
The IUPAC name of tert-butyl (5R)-10-benzyl-11-oxo-1,10-diazaspiro[4.6]undecane-1-carboxylate (CID 102146444) is tert-butyl (5R)-10-benzyl-11-oxo-1,10-diazaspiro[4.6]undecane-1-carboxylate.
What is the SMILES notation for tert-butyl (5R)-10-benzyl-11-oxo-1,10-diazaspiro[4.6]undecane-1-carboxylate?
The canonical SMILES for tert-butyl (5R)-10-benzyl-11-oxo-1,10-diazaspiro[4.6]undecane-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@]12CCCCN(Cc1ccccc1)C2=O.
What is the InChIKey of tert-butyl (5R)-10-benzyl-11-oxo-1,10-diazaspiro[4.6]undecane-1-carboxylate?
The InChIKey is QPXCZFGZQMKRSA-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-20(2,3)26-19(25)23-15-9-13-21(23)12-7-8-14-22(18(21)24)16-17-10-5-4-6-11-17/h4-6,10-11H,7-9,12-16H2,1-3H3/t21-/m1/s1.
What are the key properties of tert-butyl (5R)-10-benzyl-11-oxo-1,10-diazaspiro[4.6]undecane-1-carboxylate?
tert-butyl (5R)-10-benzyl-11-oxo-1,10-diazaspiro[4.6]undecane-1-carboxylate has a molecular weight of 358.48 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5R)-10-benzyl-11-oxo-1,10-diazaspiro[4.6]undecane-1-carboxylate is sourced from PubChem (CID 102146444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).