N-(1-cycloheptylpiperidin-3-yl)-2-(pyridin-2-yl)acetamide

• ChemBase ID: 675394
• Molecular Formular: C19H29N3O
• Molecular Mass: 315.45306
• Monoisotopic Mass: 315.23106256
• SMILES: N1(CC(NC(=O)Cc2ncccc2)CCC1)C1CCCCCC1
• Canonical SMILES: O=C(Cc1ccccn1)NC1CCCN(C1)C1CCCCCC1
• InChI: InChI=1S/C19H29N3O/c23-19(14-16-8-5-6-12-20-16)21-17-9-7-13-22(15-17)18-10-3-1-2-4-11-18/h5-6,8,12,17-18H,1-4,7,9-11,13-15H2,(H,21,23)
• InChIKey: UCZIBMOEWVYGOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-cycloheptylpiperidin-3-yl)-2-(pyridin-2-yl)acetamide
• IUPAC Traditional name: N-(1-cycloheptylpiperidin-3-yl)-2-(pyridin-2-yl)acetamide
• Synonyms: N-(1-cycloheptyl-3-piperidinyl)-2-(2-pyridinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.619165
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.4817721
• LogD (pH = 7.4): 0.8195436
• Log P: 2.9239538
• Molar Refractivity: 92.4011 cm^3
• Polarizability: 36.491837 Å^3
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.7
• LOG S: -3.38
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 4