N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-N-(oxolan-2-ylmethyl)-2-(pyridin-3-yl)acetamide

• ChemBase ID: 323764
• Molecular Formular: C21H33N3O3
• Molecular Mass: 375.50502
• Monoisotopic Mass: 375.25219193
• SMILES: C(=O)(N(CC1OCCC1)CC1CCN(CC1)CCOC)Cc1cnccc1
• Canonical SMILES: COCCN1CCC(CC1)CN(C(=O)Cc1cccnc1)CC1CCCO1
• InChI: InChI=1S/C21H33N3O3/c1-26-13-11-23-9-6-18(7-10-23)16-24(17-20-5-3-12-27-20)21(25)14-19-4-2-8-22-15-19/h2,4,8,15,18,20H,3,5-7,9-14,16-17H2,1H3
• InChIKey: JKRRFSTWFRFBAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-N-(oxolan-2-ylmethyl)-2-(pyridin-3-yl)acetamide
• IUPAC Traditional name: N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-N-(oxolan-2-ylmethyl)-2-(pyridin-3-yl)acetamide
• Synonyms: N-{[1-(2-methoxyethyl)-4-piperidinyl]methyl}-2-(3-pyridinyl)-N-(tetrahydro-2-furanylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -2.2940464
• LogD (pH = 7.4): -0.54944104
• Log P: 0.8927516
• Molar Refractivity: 106.3916 cm^3
• Polarizability: 41.55535 Å^3
• Polar Surface Area: 54.9 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.1
• LOG S: -1.33
• Polar Surface Area: 54.9 Å^2
• Rotatable Bonds: 8