1-[(3-Cyano-1-methylindol-2-yl)methyl]piperidine-4-carboxamide
Basic information
- CAS
5816-94-4- Standard SMILES
Cn1c(CN2CCC(C(N)=O)CC2)c(C#N)c2ccccc21- InChIKey
XKLFCEMHHDNAPE-UHFFFAOYSA-N- Molecular formula
- C17H20N4O
- Average molar mass
- 296.37 g/mol
- Monoisotopic mass
- 296.16371127
Names & identifiers
- Preferred name
- 1-[(3-Cyano-1-methylindol-2-yl)methyl]piperidine-4-carboxamide
- IUPAC
- 1-[(3-cyano-1-methylindol-2-yl)methyl]piperidine-4-carboxamide
Names & synonyms
5816-94-4BAS 071197781-[(3-cyano-1-methylindol-2-yl)methyl]piperidine-4-carboxamide1-[(3-cyano-1-methyl-1H-indol-2-yl)methyl]piperidine-4-carboxamide1-[(3-cyano-1-methyl-indol-2-yl)methyl]piperidine-4-carboxamide1-(3-Cyano-1-methyl-1H-indol-2-ylmethyl)-piperidine-4-carboxylic acid amideSMR000014223ChemDiv2_002543MLS000034790MLS000119231CHEMBL1484798DTXSID30349479
Show more names
HMS1376D13HMS2351D07HTS14477STK682797AKOS001727907ST104490SR-01000322328SR-01000322328-1
Database identifiers
- CAS
5816-94-4- PubChem CID
- 649356
- DTXSID
DTXSID30349479- ChEMBL
CHEMBL1484798
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 75.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 463
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Related reactions
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Compound notes
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