4-[(4-Cyano-phenyl)-thiophen-3-ylmethyl-amino]-piperidine-1-carboxylic acid tert-butyl ester

HCID 68970643
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCC(N(Cc2ccsc2)c2ccc(C#N)cc2)CC1
InChIKey
IYJSGNXGKHLPNW-UHFFFAOYSA-N
Molecular formula
C22H27N3O2S
Average molar mass
397.5 g/mol
Monoisotopic mass
397.18239829

Names & identifiers

Preferred name
4-[(4-Cyano-phenyl)-thiophen-3-ylmethyl-amino]-piperidine-1-carboxylic acid tert-butyl ester
IUPAC
tert-butyl 4-[4-cyano-N-(thiophen-3-ylmethyl)anilino]piperidine-1-carboxylate

Names & synonyms

SCHEMBL4240462IYJSGNXGKHLPNW-UHFFFAOYSA-N4-[(4-cyano-phenyl)-thiophen-3-ylmethyl-amino]-piperidine-1-carboxylic acid tert-butyl ester

Database identifiers

PubChem CID
68970643

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
84.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
28

Related reactions

2 records
New reaction record

Compound notes

Loading…