Basic information
- Standard SMILES
O=C(CCCCN1CCC(c2cccc(NC(=O)C3CC3)c2)CC1)c1ccc([N+](=O)[O-])cc1- InChIKey
GNUJGUSMLMULDB-UHFFFAOYSA-N- Molecular formula
- C26H31N3O4
- Average molar mass
- 449.5 g/mol
- Monoisotopic mass
- 449.23145648
Names & identifiers
- Preferred name
- N-(3-{1-[5-(4-Nitrophenyl)-5-oxopentyl]-4-piperidinyl}phenyl)cyclopropanecarboxamide
- IUPAC
- N-[3-[1-[5-(4-nitrophenyl)-5-oxopentyl]piperidin-4-yl]phenyl]cyclopropanecarboxamide
Names & synonyms
SCHEMBL5658741GNUJGUSMLMULDB-UHFFFAOYSA-NN-(3-{1-[5-(4-NITROPHENYL)-5-OXOPENTYL]-4-PIPERIDINYL}PHENYL)CYCLOPROPANECARBOXAMIDE
Database identifiers
- PubChem CID
- 22048839
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 674
Related reactions
3 records
Compound notes
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