N-[(3-fluorophenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide

• ChemBase ID: 674155
• Molecular Formular: C16H23FN2O
• Molecular Mass: 278.3650232
• Monoisotopic Mass: 278.17944159
• SMILES: N1(C(CCC(=O)NCc2cc(F)ccc2)CCCC1)C
• Canonical SMILES: O=C(NCc1cccc(c1)F)CCC1CCCCN1C
• InChI: InChI=1S/C16H23FN2O/c1-19-10-3-2-7-15(19)8-9-16(20)18-12-13-5-4-6-14(17)11-13/h4-6,11,15H,2-3,7-10,12H2,1H3,(H,18,20)
• InChIKey: QPVJTNKIMCPJBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-fluorophenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide
• IUPAC Traditional name: N-[(3-fluorophenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide
• Synonyms: N-(3-fluorobenzyl)-3-(1-methyl-2-piperidinyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.123422
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.99983364
• LogD (pH = 7.4): 0.2773277
• Log P: 2.3878684
• Molar Refractivity: 78.8872 cm^3
• Polarizability: 30.397411 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.15
• LOG S: -3.07
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 5