Basic information
- CAS
15499-14-6- Standard SMILES
CC(=O)Nc1ccc(NCCN2CCCCC2)c(=O)cc1- InChIKey
WMTZJNDPQRKXJU-UHFFFAOYSA-N- Molecular formula
- C16H23N3O2
- Average molar mass
- 289.37 g/mol
- Monoisotopic mass
- 289.17902698
Names & identifiers
- Preferred name
- Acetamide, N-(5-oxo-4-((2-piperidinoethyl)amino)-1,3,6-cycloheptatrien-1-yl)-
- IUPAC
- N-[5-oxo-4-(2-piperidin-1-ylethylamino)cyclohepta-1,3,6-trien-1-yl]acetamide
Names & synonyms
BRN 1322752ACETAMIDE, N-(5-OXO-4-((2-PIPERIDINOETHYL)AMINO)-1,3,6-CYCLOHEPTATRIEN-1-YL)-2-(beta-Piperidinoethylamino-5-acetamido)tropone15499-14-6DTXSID90165773N-(5-Oxo-4-((2-piperidinoethyl)amino)-1,3,6-cycloheptatrien-1-yl)acetamideRefChem:315450DTXCID4088264N-(5-OXO-4-{[2-(PIPERIDIN-1-YL)ETHYL]AMINO}CYCLOHEPTA-1,3,6-TRIEN-1-YL)ACETAMIDE
Database identifiers
- CAS
15499-14-6- PubChem CID
- 27348
- DTXSID
DTXSID90165773- Nikkaji
- J73.500K
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 486
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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