N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide

• ChemBase ID: 443396
• Molecular Formular: C24H30FN3O
• Molecular Mass: 395.5129032
• Monoisotopic Mass: 395.23729082
• SMILES: N(C(=O)c1cc(F)ccc1)(Cc1cnccc1)CC1CCN(CC1)C1CCCC1
• Canonical SMILES: Fc1cccc(c1)C(=O)N(Cc1cccnc1)CC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C24H30FN3O/c25-22-7-3-6-21(15-22)24(29)28(18-20-5-4-12-26-16-20)17-19-10-13-27(14-11-19)23-8-1-2-9-23/h3-7,12,15-16,19,23H,1-2,8-11,13-14,17-18H2
• InChIKey: IFRPPVDOBCLLTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
• IUPAC Traditional name: N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
• Synonyms: N-[(1-cyclopentyl-4-piperidinyl)methyl]-3-fluoro-N-(3-pyridinylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.23602293
• LogD (pH = 7.4): 1.2612613
• Log P: 3.7628496
• Molar Refractivity: 114.2842 cm^3
• Polarizability: 43.668552 Å^3
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.41
• LOG S: -4.26
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 6