Tert-butyl 9-(pyridin-3-ylcarbonyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
Basic information
- CAS
851324-35-1- Standard SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CCN(C(=O)c1cccnc1)CC2- InChIKey
CXTCSOUECUBNFS-UHFFFAOYSA-N- Molecular formula
- C20H29N3O3
- Average molar mass
- 359.5 g/mol
- Monoisotopic mass
- 359.2208918
Names & identifiers
- Preferred name
- Tert-butyl 9-(pyridin-3-ylcarbonyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
- IUPAC
- tert-butyl 9-(pyridine-3-carbonyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
Names & synonyms
SCHEMBL5433598CXTCSOUECUBNFS-UHFFFAOYSA-NDTXSID7011303621,1-Dimethylethyl 9-(3-pyridinylcarbonyl)-3,9-diazaspiro[5.5]undecane-3-carboxylatetert-butyl 9-(pyridin-3-ylcarbonyl)-3,9-diazaspiro[5.5]undecane-3-carboxylatetert-butyl 9-(pyridine-3-carbonyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate851324-35-1
Database identifiers
- CAS
851324-35-1- PubChem CID
- 69439527
- DTXSID
DTXSID701130362
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 511
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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