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

• ChemBase ID: 496628
• Molecular Formular: C20H31N3O2
• Molecular Mass: 345.47904
• Monoisotopic Mass: 345.24162725
• SMILES: N(C(=O)COC)(Cc1cnccc1)CC1CCN(CC1)C1CCCC1
• Canonical SMILES: COCC(=O)N(Cc1cccnc1)CC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C20H31N3O2/c1-25-16-20(24)23(15-18-5-4-10-21-13-18)14-17-8-11-22(12-9-17)19-6-2-3-7-19/h4-5,10,13,17,19H,2-3,6-9,11-12,14-16H2,1H3
• InChIKey: WMYUSQKZILFWSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• LogD (pH = 7.4): -0.9097368
• Log P: 1.5918517
• Molar Refractivity: 99.8507 cm^3
• Polarizability: 39.018322 Å^3
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• Acid pKa: 19.790024
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.9349846

供应商提供(Chembridge)

• Log P: 1.49
• LOG S: -1.22
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 6
• H Acceptors: 4
• H Donor: 0