2-Pyrrolidinone, 1-anilino-4-piperidinocarbonyl-
Basic information
- CAS
39630-12-1- Standard SMILES
O=C(C1CC(=O)N(Nc2ccccc2)C1)N1CCCCC1- InChIKey
JFZUQYGYJQWVDK-UHFFFAOYSA-N- Molecular formula
- C16H21N3O2
- Average molar mass
- 287.36 g/mol
- Monoisotopic mass
- 287.16337692
Names & identifiers
- Preferred name
- 2-Pyrrolidinone, 1-anilino-4-piperidinocarbonyl-
- IUPAC
- 1-anilino-4-(piperidine-1-carbonyl)pyrrolidin-2-one
- English name
- 1-Anilino-4-piperidinocarbonylpyrrolidin-2-one
- Molecular formula
- C16H21N3O2
- Molecular weight
- 287.36
Names & synonyms
39630-12-12-Pyrrolidinone, 1-anilino-4-piperidinocarbonyl-RefChem:1064737BRN 04345071-Anilino-4-piperidinocarbonyl-2-pyrrolidinone1-anilino-4-(piperidine-1-carbonyl)pyrrolidin-2-oneDTXSID909602451-Anilino-4-piperidinocarbonylpyrrolidin-2-one2-Pyrrolidinone, 1-(phenylamino)-4-(1-piperidinylcarbonyl)-
Database identifiers
- CAS
39630-12-1- PubChem CID
- 217799
- DTXSID
DTXSID90960245- Nikkaji
- J51.466G
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 52.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 387
Physicochemical properties
- Boiling point
- 472.1 · 472.1±55.0 °C(Predicted)
- Density
- 1.271 · 1.271±0.06 g/cm3(Predicted)
- pka
- 2.6 · 2.60±0.40(Predicted)
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Compound notes
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