(R)-tert-butyl 1-(4-(2-cyano-5-fluorobenzyl)-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)piperidin-3-ylcarbamate

HCID 58328541

Basic information

Standard SMILES
Cc1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n(Cc2cc(F)ccc2C#N)c1=O
InChIKey
MNRDIJQGGZMRLH-GOSISDBHSA-N
Molecular formula
C22H27FN6O3
Average molar mass
442.5 g/mol

Names & identifiers

Preferred name
(R)-tert-butyl 1-(4-(2-cyano-5-fluorobenzyl)-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)piperidin-3-ylcarbamate
IUPAC
tert-butyl N-[(3R)-1-[4-[(2-cyano-5-fluorophenyl)methyl]-6-methyl-5-oxo-1,2,4-triazin-3-yl]piperidin-3-yl]carbamate

Names & synonyms

SCHEMBL2022448MNRDIJQGGZMRLH-GOSISDBHSA-N(R)-tert-butyl 1-(4-(2-cyano-5-fluorobenzyl)-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)piperidin-3-ylcarbamate

Database identifiers

PubChem CID
58328541

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
110 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
32

Related reactions

4 records

Compound notes

Loading…