N-[(1-cyclohexylpiperidin-3-yl)methyl]-2-methoxy-N-(pyridin-3-ylmethyl)acetamide

• ChemBase ID: 819250
• Molecular Formular: C21H33N3O2
• Molecular Mass: 359.50562
• Monoisotopic Mass: 359.25727731
• SMILES: N1(CC(CN(C(=O)COC)Cc2cnccc2)CCC1)C1CCCCC1
• Canonical SMILES: COCC(=O)N(Cc1cccnc1)CC1CCCN(C1)C1CCCCC1
• InChI: InChI=1S/C21H33N3O2/c1-26-17-21(25)24(14-18-7-5-11-22-13-18)16-19-8-6-12-23(15-19)20-9-3-2-4-10-20/h5,7,11,13,19-20H,2-4,6,8-10,12,14-17H2,1H3
• InChIKey: RASPCFWXIBJJQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-cyclohexylpiperidin-3-yl)methyl]-2-methoxy-N-(pyridin-3-ylmethyl)acetamide
• IUPAC Traditional name: N-[(1-cyclohexylpiperidin-3-yl)methyl]-2-methoxy-N-(pyridin-3-ylmethyl)acetamide
• Synonyms: N-[(1-cyclohexyl-3-piperidinyl)methyl]-2-methoxy-N-(3-pyridinylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.789598
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.4485103
• LogD (pH = 7.4): -0.4896234
• Log P: 2.0779772
• Molar Refractivity: 104.3529 cm^3
• Polarizability: 40.860596 Å^3
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.04
• LOG S: -1.77
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 6