N-benzyl-1-(4-nitrophenyl)piperidine-4-carboxamide
Basic information
- CAS
7469-72-9- Standard SMILES
O=C(NCc1ccccc1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1- InChIKey
SSHWJIMBIKDAQF-UHFFFAOYSA-N- Molecular formula
- C19H21N3O3
- Average molar mass
- 339.4 g/mol
- Monoisotopic mass
- 339.15829154
Names & identifiers
- Preferred name
- N-benzyl-1-(4-nitrophenyl)piperidine-4-carboxamide
- IUPAC
- N-benzyl-1-(4-nitrophenyl)piperidine-4-carboxamide
Names & synonyms
7469-72-9N-benzyl-1-(4-nitrophenyl)piperidine-4-carboxamideNSC402202DTXSID30322868NSC-402202
Database identifiers
- CAS
7469-72-9- PubChem CID
- 345003
- DTXSID
DTXSID30322868
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 78.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 443
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Compound notes
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