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Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC1(C(=O)NC(CCCO)c2ccc(Cl)cc2)CCN(C(=O)OC(C)(C)C)CC1- InChIKey
VGPINWKDBQRVGZ-UHFFFAOYSA-N- Molecular formula
- C26H40ClN3O6
- Average molar mass
- 526.1 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 4-(tert-butoxycarbonylamino)-4-(1-(4-chlorophenyl)-4-hydroxybutylcarbamoyl)piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[[1-(4-chlorophenyl)-4-hydroxybutyl]carbamoyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
Names & synonyms
SCHEMBL389415VGPINWKDBQRVGZ-UHFFFAOYSA-Ntert-butyl 4-(tert-butoxycarbonylamino)-4-(1-(4-chlorophenyl)-4-hydroxybutylcarbamoyl)piperidine-1-carboxylateTert-butyl-4-(tert-butoxycarbonylamino)-4-(1-(4-chlorophenyl)-4-hydroxybutylcarbamoyl)piperidine-1-carboxylateTert-butyl4-(tert-butoxycarbonyl amino)-4-(1-(4-chlorophenyl)-4-hydroxybutylcarbamoyl)piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 57750344
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 748
Related reactions
3 records
Compound notes
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