Basic information
- Standard SMILES
CCOC(=O)N1CCC(NCc2ccncc2NC(=O)OC(C)(C)C)CC1- InChIKey
NBVKWIOBKNXZKS-UHFFFAOYSA-N- Molecular formula
- C19H30N4O4
- Average molar mass
- 378.5 g/mol
Names & identifiers
- Preferred name
- Ethyl 4-[({3-[(tert-butoxycarbonyl)amino]pyridin-4-yl}methyl)amino]piperidine-1-carboxylate
- IUPAC
- ethyl 4-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]methylamino]piperidine-1-carboxylate
Names & synonyms
SCHEMBL1197831NBVKWIOBKNXZKS-UHFFFAOYSA-NEthyl 4-[({3-[(tert-butoxycarbonyl)amino]pyridin-4-yl}methyl)amino]piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 22293284
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 92.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 487
Related reactions
15 records
Compound notes
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