tert-butyl 2-benzoyloxy-2,6-diazaspiro[3.3]heptane-6-carboxylate

C17H22N2O4 — CID 178145170

IUPACtert-butyl 2-benzoyloxy-2,6-diazaspiro[3.3]heptane-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CN(OC(=O)c3ccccc3)C2)C1
InChIInChI=1S/C17H22N2O4/c1-16(2,3)22-15(21)18-9-17(10-18)11-19(12-17)23-14(20)13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3
InChIKeyQZSLSVCSJSVCLT-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.31
Rot. Bonds2

About tert-butyl 2-benzoyloxy-2,6-diazaspiro[3.3]heptane-6-carboxylate

tert-butyl 2-benzoyloxy-2,6-diazaspiro[3.3]heptane-6-carboxylate (PubChem CID 178145170) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is tert-butyl 2-benzoyloxy-2,6-diazaspiro[3.3]heptane-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-benzoyloxy-2,6-diazaspiro[3.3]heptane-6-carboxylate
PubChem CID178145170
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Nametert-butyl 2-benzoyloxy-2,6-diazaspiro[3.3]heptane-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CN(OC(=O)c3ccccc3)C2)C1
InChIInChI=1S/C17H22N2O4/c1-16(2,3)22-15(21)18-9-17(10-18)11-19(12-17)23-14(20)13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3
InChIKeyQZSLSVCSJSVCLT-UHFFFAOYSA-N
XLogP2.31
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-(1-benzoyloxyazetidin-3-yl)piperazine-1-carboxylate
CID 163839766
tert-butyl 6-(4-phenylphenyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 102596666
tert-butyl 3-(1-benzoyloxypiperidin-4-yl)oxyazetidine-1-carboxylate
CID 167218126
tert-butyl 6-(2-cyanophenyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 102596667
tert-butyl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane
CID 144686266
CID 176582761
CID 176582761
tert-butyl 3-benzoyloxy-3,6-diazabicyclo[3.2.2]nonane-6-carboxylate
CID 170423570
tert-butyl 6-(aminomethyl)-6-phenyl-2-azaspiro[3.3]heptane-2-carboxylate;hydrochloride
CID 138039778
tert-butyl 3-(1-phenylethylidene)azetidine-1-carboxylate
CID 156785803
CID 162139404
CID 162139404
tert-butyl 2-benzoyloxy-4-hydroxypyrazolidine-1-carboxylate
CID 146756416
tert-butyl 6-[tert-butyl(diphenyl)silyl]oxy-2-azaspiro[3.3]heptane-2-carboxylate
CID 140920935

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-benzoyloxy-2,6-diazaspiro[3.3]heptane-6-carboxylate?
The IUPAC name of tert-butyl 2-benzoyloxy-2,6-diazaspiro[3.3]heptane-6-carboxylate (CID 178145170) is tert-butyl 2-benzoyloxy-2,6-diazaspiro[3.3]heptane-6-carboxylate.
What is the SMILES notation for tert-butyl 2-benzoyloxy-2,6-diazaspiro[3.3]heptane-6-carboxylate?
The canonical SMILES for tert-butyl 2-benzoyloxy-2,6-diazaspiro[3.3]heptane-6-carboxylate is CC(C)(C)OC(=O)N1CC2(CN(OC(=O)c3ccccc3)C2)C1.
What is the InChIKey of tert-butyl 2-benzoyloxy-2,6-diazaspiro[3.3]heptane-6-carboxylate?
The InChIKey is QZSLSVCSJSVCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-16(2,3)22-15(21)18-9-17(10-18)11-19(12-17)23-14(20)13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3.
What are the key properties of tert-butyl 2-benzoyloxy-2,6-diazaspiro[3.3]heptane-6-carboxylate?
tert-butyl 2-benzoyloxy-2,6-diazaspiro[3.3]heptane-6-carboxylate has a molecular weight of 318.37 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-benzoyloxy-2,6-diazaspiro[3.3]heptane-6-carboxylate is sourced from PubChem (CID 178145170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).