tert-butyl 12-oxo-1,11-diazaspiro[5.6]dodecane-1-carboxylate

C15H26N2O3 — CID 139383963

IUPACtert-butyl 12-oxo-1,11-diazaspiro[5.6]dodecane-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC12CCCCNC2=O
InChIInChI=1S/C15H26N2O3/c1-14(2,3)20-13(19)17-11-7-5-9-15(17)8-4-6-10-16-12(15)18/h4-11H2,1-3H3,(H,16,18)
InChIKeyNOFXHWOWJRJWCK-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.45
Rot. Bonds

About tert-butyl 12-oxo-1,11-diazaspiro[5.6]dodecane-1-carboxylate

tert-butyl 12-oxo-1,11-diazaspiro[5.6]dodecane-1-carboxylate (PubChem CID 139383963) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is tert-butyl 12-oxo-1,11-diazaspiro[5.6]dodecane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 12-oxo-1,11-diazaspiro[5.6]dodecane-1-carboxylate
PubChem CID139383963
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Nametert-butyl 12-oxo-1,11-diazaspiro[5.6]dodecane-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC12CCCCNC2=O
InChIInChI=1S/C15H26N2O3/c1-14(2,3)20-13(19)17-11-7-5-9-15(17)8-4-6-10-16-12(15)18/h4-11H2,1-3H3,(H,16,18)
InChIKeyNOFXHWOWJRJWCK-UHFFFAOYSA-N
XLogP2.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 12-oxo-1,11-diazaspiro[5.6]dodecane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 5-oxo-1,4,9-triazaspiro[5.5]undecane-1-carboxylate
CID 67979785
tert-butyl 4-oxo-6,9-diazaspiro[4.5]decane-6-carboxylate
CID 141188760
tert-butyl 1,5-diazaspiro[3.5]nonane-5-carboxylate
CID 71741473
1-acetyl-1,7-diazaspiro[4.4]nonan-6-one
CID 118104160
tert-butyl 3-methyl-5-oxo-1,4-diazaspiro[5.6]dodecane-1-carboxylate
CID 143944951
tert-butyl 7-chlorospiro[1,2,3,4-tetrahydro-1-benzazepine-5,2'-azetidine]-1'-carboxylate
CID 170250485
2-[(5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetic acid
CID 24805629
tert-butyl (5R)-10-benzyl-11-oxo-1,10-diazaspiro[4.6]undecane-1-carboxylate
CID 102146444
tert-butyl (2R)-2-methyl-2-phenylpiperidine-1-carboxylate
CID 102345334
tert-butyl 10-methyl-11-oxo-1,10-diazaspiro[4.6]undec-7-ene-1-carboxylate
CID 139371603
tert-butyl 8-oxo-1,9-diazaspiro[4.6]undecane-1-carboxylate
CID 130765018
tert-butyl 2-methyl-2-phenylazepane-1-carboxylate
CID 135033621

Frequently Asked Questions

What is the IUPAC name of tert-butyl 12-oxo-1,11-diazaspiro[5.6]dodecane-1-carboxylate?
The IUPAC name of tert-butyl 12-oxo-1,11-diazaspiro[5.6]dodecane-1-carboxylate (CID 139383963) is tert-butyl 12-oxo-1,11-diazaspiro[5.6]dodecane-1-carboxylate.
What is the SMILES notation for tert-butyl 12-oxo-1,11-diazaspiro[5.6]dodecane-1-carboxylate?
The canonical SMILES for tert-butyl 12-oxo-1,11-diazaspiro[5.6]dodecane-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC12CCCCNC2=O.
What is the InChIKey of tert-butyl 12-oxo-1,11-diazaspiro[5.6]dodecane-1-carboxylate?
The InChIKey is NOFXHWOWJRJWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-14(2,3)20-13(19)17-11-7-5-9-15(17)8-4-6-10-16-12(15)18/h4-11H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl 12-oxo-1,11-diazaspiro[5.6]dodecane-1-carboxylate?
tert-butyl 12-oxo-1,11-diazaspiro[5.6]dodecane-1-carboxylate has a molecular weight of 282.38 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 12-oxo-1,11-diazaspiro[5.6]dodecane-1-carboxylate is sourced from PubChem (CID 139383963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).