N-{2-[1-(3-fluoropropyl)-1,2,5,6-tetrahydropyridin-3-yl]ethyl}thiophene-2-carboxamide

• ChemBase ID: 416457
• Molecular Formular: C15H21FN2OS
• Molecular Mass: 296.4034432
• Monoisotopic Mass: 296.13586252
• SMILES: c1(C(=O)NCCC2=CCCN(C2)CCCF)sccc1
• Canonical SMILES: FCCCN1CCC=C(C1)CCNC(=O)c1cccs1
• InChI: InChI=1S/C15H21FN2OS/c16-7-3-10-18-9-1-4-13(12-18)6-8-17-15(19)14-5-2-11-20-14/h2,4-5,11H,1,3,6-10,12H2,(H,17,19)
• InChIKey: PARBZFVYWWDNKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[1-(3-fluoropropyl)-1,2,5,6-tetrahydropyridin-3-yl]ethyl}thiophene-2-carboxamide
• IUPAC Traditional name: N-{2-[1-(3-fluoropropyl)-5,6-dihydro-2H-pyridin-3-yl]ethyl}thiophene-2-carboxamide
• Synonyms: N-{2-[1-(3-fluoropropyl)-1,2,5,6-tetrahydropyridin-3-yl]ethyl}thiophene-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.1561365
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3752592
• LogD (pH = 7.4): 0.21807495
• Log P: 1.8257428
• Molar Refractivity: 82.0317 cm^3
• Polarizability: 30.511967 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.1
• LOG S: -3.16
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 6