Basic information
- Standard SMILES
Cc1cc(NC(=O)NCCN2CCC(N(C)C(=O)OC(C)(C)C)CC2)cc(C)n1- InChIKey
UNUWRCLPVUPBPZ-UHFFFAOYSA-N- Molecular formula
- C21H35N5O3
- Average molar mass
- 405.5 g/mol
Names & identifiers
- Preferred name
- (1-{2-[3-(2,6-Dimethyl-pyridin-4-yl)-ureido]-ethyl}-piperidin-4-yl)-methyl-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]-N-methylcarbamate
Names & synonyms
SCHEMBL3558321UNUWRCLPVUPBPZ-UHFFFAOYSA-N(1-{2-[3-(2,6-Dimethyl-pyridin-4-yl)-ureido]-ethyl}-piperidin-4-yl)-methyl-carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 68690307
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 86.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 533
Related reactions
2 records
Compound notes
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