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

• ChemBase ID: 322644
• Molecular Formular: C24H32FN3O
• Molecular Mass: 397.5287832
• Monoisotopic Mass: 397.25294088
• SMILES: C(=O)(N(CC1CN(CCc2cc(F)ccc2)CCC1)CC)CCc1ncccc1
• Canonical SMILES: CCN(C(=O)CCc1ccccn1)CC1CCCN(C1)CCc1cccc(c1)F
• InChI: InChI=1S/C24H32FN3O/c1-2-28(24(29)12-11-23-10-3-4-14-26-23)19-21-8-6-15-27(18-21)16-13-20-7-5-9-22(25)17-20/h3-5,7,9-10,14,17,21H,2,6,8,11-13,15-16,18-19H2,1H3
• InChIKey: QIDNPSCANQMTCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-({1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl}methyl)-3-(pyridin-2-yl)propanamide
• IUPAC Traditional name: N-ethyl-N-({1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl}methyl)-3-(pyridin-2-yl)propanamide
• Synonyms: N-ethyl-N-({1-[2-(3-fluorophenyl)ethyl]-3-piperidinyl}methyl)-3-(2-pyridinyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.37327403
• LogD (pH = 7.4): 2.1434245
• Log P: 3.3938236
• Molar Refractivity: 115.5044 cm^3
• Polarizability: 44.54163 Å^3
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.07
• LOG S: -4.34
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 8