N-cyclohexyl-3-(piperidin-3-yl)-N-(pyridin-2-ylmethyl)benzamide

• ChemBase ID: 510121
• Molecular Formular: C24H31N3O
• Molecular Mass: 377.52244
• Monoisotopic Mass: 377.24671263
• SMILES: C(=O)(N(Cc1ncccc1)C1CCCCC1)c1cc(C2CNCCC2)ccc1
• Canonical SMILES: O=C(N(C1CCCCC1)Cc1ccccn1)c1cccc(c1)C1CCCNC1
• InChI: InChI=1S/C24H31N3O/c28-24(20-9-6-8-19(16-20)21-10-7-14-25-17-21)27(23-12-2-1-3-13-23)18-22-11-4-5-15-26-22/h4-6,8-9,11,15-16,21,23,25H,1-3,7,10,12-14,17-18H2
• InChIKey: XXZFEVOYJWULDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-3-(piperidin-3-yl)-N-(pyridin-2-ylmethyl)benzamide
• IUPAC Traditional name: N-cyclohexyl-3-(piperidin-3-yl)-N-(pyridin-2-ylmethyl)benzamide
• Synonyms: N-cyclohexyl-3-piperidin-3-yl-N-(pyridin-2-ylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.60811675
• LogD (pH = 7.4): 1.3693101
• Log P: 3.8418
• Molar Refractivity: 113.2215 cm^3
• Polarizability: 43.958553 Å^3
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.11
• LOG S: -3.31
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 5