N-(2-methoxyethyl)-4-[(2-methylpyridin-3-yl)oxy]-N-propylpiperidine-4-carboxamide

• ChemBase ID: 583166
• Molecular Formular: C18H29N3O3
• Molecular Mass: 335.44116
• Monoisotopic Mass: 335.2208918
• SMILES: C1(C(=O)N(CCOC)CCC)(Oc2c(nccc2)C)CCNCC1
• Canonical SMILES: COCCN(C(=O)C1(CCNCC1)Oc1cccnc1C)CCC
• InChI: InChI=1S/C18H29N3O3/c1-4-12-21(13-14-23-3)17(22)18(7-10-19-11-8-18)24-16-6-5-9-20-15(16)2/h5-6,9,19H,4,7-8,10-14H2,1-3H3
• InChIKey: FPSRBCZTECKDEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-4-[(2-methylpyridin-3-yl)oxy]-N-propylpiperidine-4-carboxamide
• IUPAC Traditional name: N-(2-methoxyethyl)-4-[(2-methylpyridin-3-yl)oxy]-N-propylpiperidine-4-carboxamide
• Synonyms: N-(2-methoxyethyl)-4-[(2-methylpyridin-3-yl)oxy]-N-propylpiperidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.9826975
• LogD (pH = 7.4): -1.6314164
• Log P: 0.5519253
• Molar Refractivity: 93.1683 cm^3
• Polarizability: 36.674706 Å^3
• Polar Surface Area: 63.69 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.75
• LOG S: -3.14
• Polar Surface Area: 63.69 Å^2
• Rotatable Bonds: 8