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

• ChemBase ID: 456642
• Molecular Formular: C24H29F2N3O
• Molecular Mass: 413.5033664
• Monoisotopic Mass: 413.227869
• SMILES: N(C(=O)c1cc(c(cc1)F)F)(Cc1cnccc1)CC1CCN(CC1)C1CCCC1
• Canonical SMILES: O=C(c1ccc(c(c1)F)F)N(Cc1cccnc1)CC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C24H29F2N3O/c25-22-8-7-20(14-23(22)26)24(30)29(17-19-4-3-11-27-15-19)16-18-9-12-28(13-10-18)21-5-1-2-6-21/h3-4,7-8,11,14-15,18,21H,1-2,5-6,9-10,12-13,16-17H2
• InChIKey: FRYJXSXTLWKIDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.37872484
• LogD (pH = 7.4): 1.4039633
• Log P: 3.9055514
• Molar Refractivity: 114.5006 cm^3
• Polarizability: 43.34003 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: 3.5
• LOG S: -4.61
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 6