N-cyclopropyl-2-(piperidin-1-yl)-N-{[3-(pyridin-2-ylmethoxy)phenyl]methyl}acetamide

• ChemBase ID: 397376
• Molecular Formular: C23H29N3O2
• Molecular Mass: 379.49526
• Monoisotopic Mass: 379.22597718
• SMILES: C(=O)(N(C1CC1)Cc1cc(OCc2ncccc2)ccc1)CN1CCCCC1
• Canonical SMILES: O=C(N(C1CC1)Cc1cccc(c1)OCc1ccccn1)CN1CCCCC1
• InChI: InChI=1S/C23H29N3O2/c27-23(17-25-13-4-1-5-14-25)26(21-10-11-21)16-19-7-6-9-22(15-19)28-18-20-8-2-3-12-24-20/h2-3,6-9,12,15,21H,1,4-5,10-11,13-14,16-18H2
• InChIKey: WUIHTINTCSOGGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-2-(piperidin-1-yl)-N-{[3-(pyridin-2-ylmethoxy)phenyl]methyl}acetamide
• IUPAC Traditional name: N-cyclopropyl-2-(piperidin-1-yl)-N-{[3-(pyridin-2-ylmethoxy)phenyl]methyl}acetamide
• Synonyms: N-cyclopropyl-2-(1-piperidinyl)-N-[3-(2-pyridinylmethoxy)benzyl]acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.4295984
• LogD (pH = 7.4): 2.1821568
• Log P: 2.7795675
• Molar Refractivity: 110.0508 cm^3
• Polarizability: 43.072506 Å^3
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.34
• LOG S: -3.34
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 8