Basic information
- Standard SMILES
O=C(C1CCCC2(C1)OCCO2)N1CCN(c2ccccn2)CC1- InChIKey
IOCBIMBZCZRDLO-UHFFFAOYSA-N- Molecular formula
- C18H25N3O3
- Average molar mass
- 331.4 g/mol
- Monoisotopic mass
- 331.18959167
Names & identifiers
- Preferred name
- 1-(1,4-Dioxaspiro[4.5]dec-7-ylcarbonyl)-4-(2-pyridinyl)piperazine
- IUPAC
- 1,4-dioxaspiro[4.5]decan-7-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
Names & synonyms
SCHEMBL7803644IOCBIMBZCZRDLO-UHFFFAOYSA-N1-(1,4-Dioxaspiro[4.5]dec -7-ylcarbonyl)-4-(2-pyridinyl)piperazine1-(1,4-Dioxaspiro[4.5]dec-7-ylcarbonyl)-4-(2-pyridinyl)piperazine
Database identifiers
- PubChem CID
- 20076682
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 54.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 445
Related reactions
3 records
Compound notes
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