2-Piperidinone, 6-phenyl-1-(3-(4-((1-pyrrolidinylcarbonyl)methyl)-1-piperazinyl)propyl)-, ethanedioate (1:2)
Basic information
- CAS
109758-37-4- Standard SMILES
O=C(CN1CCN(CCCN2C(=O)CCCC2c2ccccc2)CC1)N1CCCC1.O=C(O)C(=O)O.O=C(O)C(=O)O- InChIKey
VFKUSLKUHYEPAW-UHFFFAOYSA-N- Molecular formula
- C28H40N4O10
- Average molar mass
- 592.6 g/mol
- Monoisotopic mass
- 592.27444349
Names & identifiers
- Preferred name
- 2-Piperidinone, 6-phenyl-1-(3-(4-((1-pyrrolidinylcarbonyl)methyl)-1-piperazinyl)propyl)-, ethanedioate (1:2)
- IUPAC
- oxalic acid;1-[3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propyl]-6-phenylpiperidin-2-one
Names & synonyms
M.G. 16248109758-37-42-Piperidinone, 6-phenyl-1-(3-(4-((1-pyrrolidinylcarbonyl)methyl)-1-piperazinyl)propyl)-, ethanedioate (1:2)RefChem:265510DTXSID90911333Oxalic acid--1-(3-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}propyl)-6-phenylpiperidin-2-one (2/1)
Database identifiers
- CAS
109758-37-4- PubChem CID
- 3066232
- DTXSID
DTXSID90911333
Properties
Computed structural properties
- Topological polar surface area
- 196 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 9
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 635
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Related reactions
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Compound notes
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