Molecular Identity
Fentanyl isothiocyanate
N-[1-[2-(4-isothiocyanatophenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide
PubChem CID: 84008
N-[1-[2-(4-isothiocyanatophenyl)ethyl]-4-piperidinyl]-N-phenylpropanamide is a member of piperidines.
2D Structure
Properties
C23H27N3OS
Molecular Formula
393.50
Molecular Weight
g/mol
393.1875
Exact Mass
Da
5.5
XLogP
Above Lipinski threshold
68
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
4
H-Bond Acceptors
526
Complexity
SMILES
Canonical SMILES
SMILES: CCC(=O)N(C1CCN(CC1)CCC2=CC=C(C=C2)N=C=S)C3=CC=CC=C3Isomeric SMILES
SMILES: CCC(=O)N(C1CCN(CC1)CCC2=CC=C(C=C2)N=C=S)C3=CC=CC=C3Synonyms(20)
Fentanyl isothiocyanate85951-63-9Fentanyl ncsDTXSID70235281Propanamide, N-(1-(2-(4-isothiocyanatophenyl)ethyl)-4-piperidinyl)-N-phenyl-RefChem:140213DTXCID70157772FITCHEMBL274844n-{1-[2-(4-isothiocyanatophenyl)ethyl]piperidin-4-yl}-n-phenylpropanamideTocris-1480N-[1-[2-(4-ISOTHIOCYANATOPHENYL)ETHYL]-4-PIPERIDINYL]-N-PHENYLPROPANAMIDECHEBI:92323HMS3267N16HMS3412D19
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Drug Network
Trials and conditions connected to Fentanyl isothiocyanate
Loading drug network...