4-fluoro-N-[1-(3-phenylpropyl)piperidin-3-yl]benzamide

• ChemBase ID: 846797
• Molecular Formular: C21H25FN2O
• Molecular Mass: 340.4344032
• Monoisotopic Mass: 340.19509165
• SMILES: C(=O)(NC1CN(CCCc2ccccc2)CCC1)c1ccc(cc1)F
• Canonical SMILES: Fc1ccc(cc1)C(=O)NC1CCCN(C1)CCCc1ccccc1
• InChI: InChI=1S/C21H25FN2O/c22-19-12-10-18(11-13-19)21(25)23-20-9-5-15-24(16-20)14-4-8-17-6-2-1-3-7-17/h1-3,6-7,10-13,20H,4-5,8-9,14-16H2,(H,23,25)
• InChIKey: TVHQRVHWIWEYBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-N-[1-(3-phenylpropyl)piperidin-3-yl]benzamide
• IUPAC Traditional name: 4-fluoro-N-[1-(3-phenylpropyl)piperidin-3-yl]benzamide
• Synonyms: 4-fluoro-N-[1-(3-phenylpropyl)-3-piperidinyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.845546
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2456263
• LogD (pH = 7.4): 2.994475
• Log P: 4.132176
• Molar Refractivity: 99.4484 cm^3
• Polarizability: 37.856216 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 4.53
• LOG S: -4.69
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 6