tert-butyl 4,10-dimethyl-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylate

C15H27N3O3 — CID 155892645

IUPACtert-butyl 4,10-dimethyl-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylate
SMILESCC1CC2(CCN1C(=O)OC(C)(C)C)NCCN(C)C2=O
InChIInChI=1S/C15H27N3O3/c1-11-10-15(12(19)17(5)9-7-16-15)6-8-18(11)13(20)21-14(2,3)4/h11,16H,6-10H2,1-5H3
InChIKeyLIJHXWGWQXMEBU-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.21
Rot. Bonds

About tert-butyl 4,10-dimethyl-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylate

tert-butyl 4,10-dimethyl-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylate (PubChem CID 155892645) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is tert-butyl 4,10-dimethyl-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylate.

Molecular Properties

Compound Nametert-butyl 4,10-dimethyl-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylate
PubChem CID155892645
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Nametert-butyl 4,10-dimethyl-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylate
SMILESCC1CC2(CCN1C(=O)OC(C)(C)C)NCCN(C)C2=O
InChIInChI=1S/C15H27N3O3/c1-11-10-15(12(19)17(5)9-7-16-15)6-8-18(11)13(20)21-14(2,3)4/h11,16H,6-10H2,1-5H3
InChIKeyLIJHXWGWQXMEBU-UHFFFAOYSA-N
XLogP1.21
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-methyl-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylate
CID 155892410
tert-butyl 1,10-dimethyl-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylate
CID 155894383
tert-butyl 4,4-ditert-butyl-2-methylpiperidine-1-carboxylate
CID 156630485
tert-butyl (5S,9S)-9-methyl-4-oxo-8-azaspiro[4.5]decane-8-carboxylate
CID 176830182
tert-butyl 3,3-dichloro-6-methyl-2-oxo-7-azaspiro[3.5]nonane-7-carboxylate
CID 168954589
tert-butyl (5R,7S)-7-methyl-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decane-8-carboxylate
CID 70169773
tert-butyl 4-(aminomethyl)-4-hydroxy-2-methylpiperidine-1-carboxylate
CID 83851170
tert-butyl 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-hydroxy-2-methylpiperidine-1-carboxylate
CID 172783683
tert-butyl 2-formyl-6-methyl-7-azaspiro[3.5]nonane-7-carboxylate
CID 23565394
tert-butyl (2S,4S)-4-hydroxy-2-methyl-4-(2-methylpropyl)piperidine-1-carboxylate
CID 129410392
tert-butyl (2S,4S)-4-hydroxy-4-(4-hydroxyphenyl)-2-methylpiperidine-1-carboxylate
CID 101245803
tert-butyl 4-(3-bromophenyl)-4-hydroxy-2-methylpiperidine-1-carboxylate
CID 166008850

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4,10-dimethyl-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylate?
The IUPAC name of tert-butyl 4,10-dimethyl-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylate (CID 155892645) is tert-butyl 4,10-dimethyl-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylate.
What is the SMILES notation for tert-butyl 4,10-dimethyl-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylate?
The canonical SMILES for tert-butyl 4,10-dimethyl-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylate is CC1CC2(CCN1C(=O)OC(C)(C)C)NCCN(C)C2=O.
What is the InChIKey of tert-butyl 4,10-dimethyl-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylate?
The InChIKey is LIJHXWGWQXMEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-11-10-15(12(19)17(5)9-7-16-15)6-8-18(11)13(20)21-14(2,3)4/h11,16H,6-10H2,1-5H3.
What are the key properties of tert-butyl 4,10-dimethyl-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylate?
tert-butyl 4,10-dimethyl-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylate has a molecular weight of 297.40 g/mol, XLogP of 1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4,10-dimethyl-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylate is sourced from PubChem (CID 155892645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).