methyl 2-((R)-(3-chlorophenyl)((R)-1-((S)-5,5-dimethyl-1-(methylamino)hexan-2-ylcarbamoyl)piperidin-3-yl)methoxy)ethylcarbamate

HCID 59201404
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CNC[C@H](CCC(C)(C)C)NC(=O)N1CCC[C@@H]([C@@H](OCCNC(=O)OC)c2cccc(Cl)c2)C1
InChIKey
CBIFCLPKKYNHJF-PUHATCMVSA-N
Molecular formula
C26H43ClN4O4
Average molar mass
511.1 g/mol
Monoisotopic mass
510.2972836

Names & identifiers

Preferred name
methyl 2-((R)-(3-chlorophenyl)((R)-1-((S)-5,5-dimethyl-1-(methylamino)hexan-2-ylcarbamoyl)piperidin-3-yl)methoxy)ethylcarbamate
IUPAC
methyl N-[2-[(R)-(3-chlorophenyl)-[(3R)-1-[[(2S)-5,5-dimethyl-1-(methylamino)hexan-2-yl]carbamoyl]piperidin-3-yl]methoxy]ethyl]carbamate

Names & synonyms

SCHEMBL3619031CBIFCLPKKYNHJF-PUHATCMVSA-Nmethyl 2-((R)-(3-chlorophenyl)((R)-1-((S)-5,5-dimethyl-1-(methylamino)hexan-2-ylcarbamoyl)piperidin-3-yl)methoxy)ethylcarbamate

Database identifiers

PubChem CID
59201404

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
91.9 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
13
Heavy atoms
35

Related reactions

1 records
New reaction record

Compound notes

Loading…