N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(3-methylphenyl)-N-(pyridin-3-ylmethyl)acetamide

• ChemBase ID: 454652
• Molecular Formular: C26H35N3O
• Molecular Mass: 405.5756
• Monoisotopic Mass: 405.27801276
• SMILES: C(=O)(N(Cc1cnccc1)CC1CCN(CC1)C1CCCC1)Cc1cc(ccc1)C
• Canonical SMILES: Cc1cccc(c1)CC(=O)N(Cc1cccnc1)CC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C26H35N3O/c1-21-6-4-7-23(16-21)17-26(30)29(20-24-8-5-13-27-18-24)19-22-11-14-28(15-12-22)25-9-2-3-10-25/h4-8,13,16,18,22,25H,2-3,9-12,14-15,17,19-20H2,1H3
• InChIKey: LFJNWUFOQMBJHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(3-methylphenyl)-N-(pyridin-3-ylmethyl)acetamide
• IUPAC Traditional name: N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(3-methylphenyl)-N-(pyridin-3-ylmethyl)acetamide
• Synonyms: N-[(1-cyclopentyl-4-piperidinyl)methyl]-2-(3-methylphenyl)-N-(3-pyridinylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.586897
• LogD (pH = 7.4): 1.6121459
• Log P: 4.1137342
• Molar Refractivity: 123.1604 cm^3
• Polarizability: 47.87284 Å^3
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.54
• LOG S: -4.5
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 7