Basic information
- Standard SMILES
C[C@H]1CN(c2ccncc2NC(=O)OC(C)(C)C)C[C@@H](NC(=O)OC(C)(C)C)[C@H]1C#N- InChIKey
IAMPPLCEGAYRPG-YQQAZPJKSA-N- Molecular formula
- C22H33N5O4
- Average molar mass
- 431.5 g/mol
Names & identifiers
- Preferred name
- tert-butyl ((3S,4S,5R)-1-(3-((tert-butoxycarbonyl)amino)pyridin-4-yl)-4-cyano-5-methylpiperidin-3-yl)carbamate
- IUPAC
- tert-butyl N-[4-[(3R,4S,5S)-4-cyano-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-3-pyridinyl]carbamate
Names & synonyms
SCHEMBL15588962IAMPPLCEGAYRPG-YQQAZPJKSA-Ntert-butyl ((3S,4S,5R)-1-(3-((tert-butoxycarbonyl)amino)pyridin-4-yl)-4-cyano-5-methylpiperidin-3-yl)carbamate
Database identifiers
- PubChem CID
- 86705276
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 690
Related reactions
4 records
Compound notes
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