Tert-butyl 4-(3-((tert-butoxycarbonyl)amino)-2-chloro-5-cyanophenyl)piperidine-1-carboxylate

HCID 89920397
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)OC(=O)Nc1cc(C#N)cc(C2CCN(C(=O)OC(C)(C)C)CC2)c1Cl
InChIKey
GPDOUTPHZNWAPW-UHFFFAOYSA-N
Molecular formula
C22H30ClN3O4
Average molar mass
435.9 g/mol

Names & identifiers

Preferred name
Tert-butyl 4-(3-((tert-butoxycarbonyl)amino)-2-chloro-5-cyanophenyl)piperidine-1-carboxylate
IUPAC
tert-butyl 4-[2-chloro-5-cyano-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]piperidine-1-carboxylate

Names & synonyms

SCHEMBL15410052GPDOUTPHZNWAPW-UHFFFAOYSA-Ntert-butyl 4-(3-((tert-butoxycarbonyl)amino)-2-chloro-5-cyanophenyl)piperidine-1-carboxylate

Database identifiers

PubChem CID
89920397

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
91.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
30

Related reactions

2 records
New reaction record

Compound notes

Loading…