4-(4-Methylpiperidin-1-yl)-3-nitrobenzamide
Basic information
- CAS
335210-47-4- Standard SMILES
CC1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1- InChIKey
JYTMTVBQIJBDGR-UHFFFAOYSA-N- Molecular formula
- C13H17N3O3
- Average molar mass
- 263.29 g/mol
- Monoisotopic mass
- 263.12699141
Names & identifiers
- Preferred name
- 4-(4-Methylpiperidin-1-yl)-3-nitrobenzamide
- IUPAC
- 4-(4-methylpiperidin-1-yl)-3-nitrobenzamide
Names & synonyms
4-(4-methylpiperidin-1-yl)-3-nitrobenzamide6637-54-3CHEMBL5288448335210-47-4starbld0013261DTXSID30387750BBL024068BDBM50609675MFCD02577644STL255742AKOS0002991914-(4-methylpiperidyl)-3-nitrobenzamide
Show more names
VS-07636CS-0292833ST500141903-nitro-4-(4-methyl-1-piperidinyl)benzamide4-(4-methyl-1-piperidyl)-3-nitro-benzamideAB00113461-01AG-690/15429266Z31247993
Database identifiers
- CAS
335210-47-4、6637-54-3- PubChem CID
- 2907448
- DTXSID
DTXSID30387750- ChEMBL
CHEMBL5288448
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 92.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 348
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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