N-[(1-cyclohexylpiperidin-3-yl)methyl]-2,4-difluoro-N-(pyridin-3-ylmethyl)benzamide

• ChemBase ID: 410218
• Molecular Formular: C25H31F2N3O
• Molecular Mass: 427.5299464
• Monoisotopic Mass: 427.24351907
• SMILES: c1(C(=O)N(CC2CN(C3CCCCC3)CCC2)Cc2cnccc2)c(cc(cc1)F)F
• Canonical SMILES: Fc1ccc(c(c1)F)C(=O)N(Cc1cccnc1)CC1CCCN(C1)C1CCCCC1
• InChI: InChI=1S/C25H31F2N3O/c26-21-10-11-23(24(27)14-21)25(31)30(16-19-6-4-12-28-15-19)18-20-7-5-13-29(17-20)22-8-2-1-3-9-22/h4,6,10-12,14-15,20,22H,1-3,5,7-9,13,16-18H2
• InChIKey: UUXMEVWGWXCADV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-cyclohexylpiperidin-3-yl)methyl]-2,4-difluoro-N-(pyridin-3-ylmethyl)benzamide
• IUPAC Traditional name: N-[(1-cyclohexylpiperidin-3-yl)methyl]-2,4-difluoro-N-(pyridin-3-ylmethyl)benzamide
• Synonyms: N-[(1-cyclohexyl-3-piperidinyl)methyl]-2,4-difluoro-N-(3-pyridinylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.87122446
• LogD (pH = 7.4): 1.8813547
• Log P: 4.391677
• Molar Refractivity: 119.0028 cm^3
• Polarizability: 45.180332 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: 4.13
• LOG S: -4.84
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 6