N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)-3-(pyridin-4-yl)propanamide

• ChemBase ID: 683530
• Molecular Formular: C18H29N3O2
• Molecular Mass: 319.44176
• Monoisotopic Mass: 319.22597718
• SMILES: C(=O)(N(C1CCN(CC1)C)CCCOC)CCc1ccncc1
• Canonical SMILES: COCCCN(C(=O)CCc1ccncc1)C1CCN(CC1)C
• InChI: InChI=1S/C18H29N3O2/c1-20-13-8-17(9-14-20)21(12-3-15-23-2)18(22)5-4-16-6-10-19-11-7-16/h6-7,10-11,17H,3-5,8-9,12-15H2,1-2H3
• InChIKey: XFDHLTQISNKXHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)-3-(pyridin-4-yl)propanamide
• IUPAC Traditional name: N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)-3-(pyridin-4-yl)propanamide
• Synonyms: N-(3-methoxypropyl)-N-(1-methyl-4-piperidinyl)-3-(4-pyridinyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.44379
• LogD (pH = 7.4): -0.5719603
• Log P: 0.51809025
• Molar Refractivity: 92.7853 cm^3
• Polarizability: 36.06539 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: 0.81
• LOG S: -0.92
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 8