methyl 3-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-6-azabicyclo[3.2.1]octane-6-carboxylate

C17H27N3O3 — CID 118385569

IUPACmethyl 3-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-6-azabicyclo[3.2.1]octane-6-carboxylate
SMILESCOC(=O)N1CC2CC(N3CCC4(CC3)CNC(=O)C4)CC1C2
InChIInChI=1S/C17H27N3O3/c1-23-16(22)20-10-12-6-13(8-14(20)7-12)19-4-2-17(3-5-19)9-15(21)18-11-17/h12-14H,2-11H2,1H3,(H,18,21)
InChIKeyORUUWJFCCHPALD-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.21
Rot. Bonds1

About methyl 3-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-6-azabicyclo[3.2.1]octane-6-carboxylate

methyl 3-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-6-azabicyclo[3.2.1]octane-6-carboxylate (PubChem CID 118385569) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is methyl 3-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-6-azabicyclo[3.2.1]octane-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-6-azabicyclo[3.2.1]octane-6-carboxylate
PubChem CID118385569
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Namemethyl 3-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-6-azabicyclo[3.2.1]octane-6-carboxylate
SMILESCOC(=O)N1CC2CC(N3CCC4(CC3)CNC(=O)C4)CC1C2
InChIInChI=1S/C17H27N3O3/c1-23-16(22)20-10-12-6-13(8-14(20)7-12)19-4-2-17(3-5-19)9-15(21)18-11-17/h12-14H,2-11H2,1H3,(H,18,21)
InChIKeyORUUWJFCCHPALD-UHFFFAOYSA-N
XLogP1.21
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-6-azabicyclo[3.2.1]octane-6-carboxylate with MolForge

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Related Compounds

ethyl 8-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-azabicyclo[3.2.1]octane-3-carboxylate
CID 118385691
8-(2,2,3,3-tetramethylcyclopropanecarbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 66476165
2,8-diazaspiro[4.5]decan-3-one;methane;(4-nitrophenyl) 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate;(4-nitrophenyl) 3-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 161305650
2,8-diazaspiro[4.5]decan-3-one;(4-nitrophenyl) 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate;(4-nitrophenyl) 3-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 159257909
tert-butyl 3-oxo-2,9-diazaspiro[4.6]undecane-9-carboxylate;ethyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate;ethyl 3-(3-oxo-2,9-diazaspiro[4.6]undecan-9-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 159196424
2,2-dimethylpropyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 50983601
8-[1-(2-methoxyethyl)cyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 139013287
8-but-2-ynoyl-2,8-diazaspiro[4.5]decan-3-one
CID 107989904
methyl 2-azabicyclo[2.2.2]octane-2-carboxylate
CID 130165644
7-methoxy-2-azaspiro[4.5]decan-3-one
CID 106874737
10-[2-(methylamino)acetyl]-3,10-diazadispiro[4.1.57.15]tridecan-2-one
CID 146625811
methyl 1,6-diazaspiro[3.3]heptane-1-carboxylate
CID 169312195

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-6-azabicyclo[3.2.1]octane-6-carboxylate?
The IUPAC name of methyl 3-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-6-azabicyclo[3.2.1]octane-6-carboxylate (CID 118385569) is methyl 3-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-6-azabicyclo[3.2.1]octane-6-carboxylate.
What is the SMILES notation for methyl 3-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-6-azabicyclo[3.2.1]octane-6-carboxylate?
The canonical SMILES for methyl 3-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-6-azabicyclo[3.2.1]octane-6-carboxylate is COC(=O)N1CC2CC(N3CCC4(CC3)CNC(=O)C4)CC1C2.
What is the InChIKey of methyl 3-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-6-azabicyclo[3.2.1]octane-6-carboxylate?
The InChIKey is ORUUWJFCCHPALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-23-16(22)20-10-12-6-13(8-14(20)7-12)19-4-2-17(3-5-19)9-15(21)18-11-17/h12-14H,2-11H2,1H3,(H,18,21).
What are the key properties of methyl 3-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-6-azabicyclo[3.2.1]octane-6-carboxylate?
methyl 3-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-6-azabicyclo[3.2.1]octane-6-carboxylate has a molecular weight of 321.42 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-6-azabicyclo[3.2.1]octane-6-carboxylate is sourced from PubChem (CID 118385569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).