3-[1-[2-Amino-3-(4-fluorophenyl)propionyl]-4-(2-naphthalen-2-ylethyl)-5-oxo-piperazin-2-yl]propionitrile

HCID 22015695

Basic information

Standard SMILES
N#CCCC1CN(CCc2ccc3ccccc3c2)C(=O)CN1C(=O)C(N)Cc1ccc(F)cc1
InChIKey
REEIPHJVVOXZQC-UHFFFAOYSA-N
Molecular formula
C28H29FN4O2
Average molar mass
472.6 g/mol

Names & identifiers

Preferred name
3-[1-[2-Amino-3-(4-fluorophenyl)propionyl]-4-(2-naphthalen-2-ylethyl)-5-oxo-piperazin-2-yl]propionitrile
IUPAC
3-[1-[2-amino-3-(4-fluorophenyl)propanoyl]-4-(2-naphthalen-2-ylethyl)-5-oxopiperazin-2-yl]propanenitrile

Names & synonyms

SCHEMBL5994482REEIPHJVVOXZQC-UHFFFAOYSA-N3-[1-[2-amino-3-(4-fluorophenyl)propionyl]-4-(2-naphthalen-2-ylethyl)-5-oxo-piperazin-2-yl]propionitrile3-[1-[2-amino-3-(4-fluorophenyl)propionyl]-4-(2-naphthalen-2-ylethyl)-5oxo-piperazin-2-yl]propionitrile3-[1-[2-amino-3-(4-fluorophenyl)proponyl]-4-(2-naphthalen-2-ylethyl)-5-oxo-piperazin-2-yl]propionitrile

Database identifiers

PubChem CID
22015695

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
90.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
35

Related reactions

3 records

Linked notes

Loading…