Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(NC(=O)N(c2cccc(C#N)c2)C2CCCCCC2)CC1- InChIKey
HGQWQLKOYVGLOG-UHFFFAOYSA-N- Molecular formula
- C25H36N4O3
- Average molar mass
- 440.6 g/mol
Names & identifiers
- Preferred name
- N-(3-Cyanophenyl)-N'-(1-(t-butoxycarbonyl)piperidin-4-yl)cycloheptylurea
- IUPAC
- tert-butyl 4-[[(3-cyanophenyl)-cycloheptylcarbamoyl]amino]piperidine-1-carboxylate
Names & synonyms
SCHEMBL6583646HGQWQLKOYVGLOG-UHFFFAOYSA-NN-(3-Cyanophenyl)-N'-(1-(t-butoxycarbonyl)piperidin-4-yl)cycloheptylurea
Database identifiers
- PubChem CID
- 53876293
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 85.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 679
Related reactions
3 records
Compound notes
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