Basic information
- CAS
21598-64-1- Standard SMILES
O=C1NC2(CCCCC2)C(=O)N1CN1CCN(Cc2ccccc2)CC1- InChIKey
DKOQHSBLALDZIQ-UHFFFAOYSA-N- Molecular formula
- C20H28N4O2
- Average molar mass
- 356.5 g/mol
- Monoisotopic mass
- 356.22122615
Names & identifiers
- Preferred name
- 1,3-Diazaspiro(4.5)decane-2,4-dione, 3-((4-benzyl-1-piperazinyl)methyl)-
- IUPAC
- 3-[(4-benzylpiperazin-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
Names & synonyms
1,3-Diazaspiro(4.5)decane-2,4-dione, 3-((4-benzyl-1-piperazinyl)methyl)-21598-64-1BRN 0706420DTXSID20175961Hydantoin, 3-((4-benzylpiperazinyl)methyl)-5,5-pentamethylene-3-[(4-benzylpiperazin-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
Database identifiers
- CAS
21598-64-1- PubChem CID
- 88960
- DTXSID
DTXSID20175961- Nikkaji
- J40.836K
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 55.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 518
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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