Phenyl(3,9-diazaspiro[5.5]undecan-3-YL)methanone
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Basic information
- CAS
851322-39-9- Standard SMILES
O=C(c1ccccc1)N1CCC2(CCNCC2)CC1- InChIKey
AHKQYEODBOZZJS-UHFFFAOYSA-N- Molecular formula
- C16H22N2O
- Average molar mass
- 258.36 g/mol
- Monoisotopic mass
- 258.17321333
Names & identifiers
- Preferred name
- Phenyl(3,9-diazaspiro[5.5]undecan-3-YL)methanone
- IUPAC
- 3,9-diazaspiro[5.5]undecan-3-yl(phenyl)methanone
- English name
- Methanone, 3,9-diazaspiro[5.5]undec-3-ylphenyl-
- Molecular formula
- C16H22N2O
- Molecular weight
- 258.36
Names & synonyms
851322-39-9PHENYL(3,9-DIAZASPIRO[5.5]UNDECAN-3-YL)METHANONE3-benzoyl-3,9-diazaspiro[5.5]undecane3,9-diazaspiro[5.5]undecan-3-yl(phenyl)methanoneMethanone, 3,9-diazaspiro[5.5]undec-3-ylphenyl-MFCD22573742Methanone,3,9-diazaspiro[5.5]undec-3-ylphenyl-SCHEMBL5436686CHEMBL5177340DTXSID80740518AHKQYEODBOZZJS-UHFFFAOYSA-NBJB32239
Show more names
9-Diazaspiro[5.5]undecane
AKOS025311310SB43994CS-0000424EN300-24990695A1-96232(3,9-Diazaspiro[5.5]undecan-3-yl)(phenyl)methanoneZ2395530363
Database identifiers
- CAS
851322-39-9- PubChem CID
- 69440808
- DTXSID
DTXSID80740518- ChEMBL
CHEMBL5177340
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 307
Related reactions
0 records
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Compound notes
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