N-{1-[(2-fluorophenyl)methyl]piperidin-3-yl}-N-methyl-3-(1H-pyrazol-1-yl)propanamide

• ChemBase ID: 561696
• Molecular Formular: C19H25FN4O
• Molecular Mass: 344.4264032
• Monoisotopic Mass: 344.20123966
• SMILES: C(=O)(N(C1CN(Cc2c(F)cccc2)CCC1)C)CCn1nccc1
• Canonical SMILES: O=C(N(C1CCCN(C1)Cc1ccccc1F)C)CCn1cccn1
• InChI: InChI=1S/C19H25FN4O/c1-22(19(25)9-13-24-12-5-10-21-24)17-7-4-11-23(15-17)14-16-6-2-3-8-18(16)20/h2-3,5-6,8,10,12,17H,4,7,9,11,13-15H2,1H3
• InChIKey: WQBVBKJLQJMSRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[(2-fluorophenyl)methyl]piperidin-3-yl}-N-methyl-3-(1H-pyrazol-1-yl)propanamide
• IUPAC Traditional name: N-{1-[(2-fluorophenyl)methyl]piperidin-3-yl}-N-methyl-3-(pyrazol-1-yl)propanamide
• Synonyms: N-[1-(2-fluorobenzyl)-3-piperidinyl]-N-methyl-3-(1H-pyrazol-1-yl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.13866897
• LogD (pH = 7.4): 1.7666363
• Log P: 2.1078956
• Molar Refractivity: 107.4203 cm^3
• Polarizability: 36.80752 Å^3
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.06
• LOG S: -2.36
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 6