N-ethyl-4-{[1-(3-methoxypropanoyl)piperidin-4-yl]oxy}-N-(pyridin-4-ylmethyl)benzamide

• ChemBase ID: 588205
• Molecular Formular: C24H31N3O4
• Molecular Mass: 425.52064
• Monoisotopic Mass: 425.23145649
• SMILES: C(=O)(N(Cc1ccncc1)CC)c1ccc(OC2CCN(C(=O)CCOC)CC2)cc1
• Canonical SMILES: COCCC(=O)N1CCC(CC1)Oc1ccc(cc1)C(=O)N(Cc1ccncc1)CC
• InChI: InChI=1S/C24H31N3O4/c1-3-26(18-19-8-13-25-14-9-19)24(29)20-4-6-21(7-5-20)31-22-10-15-27(16-11-22)23(28)12-17-30-2/h4-9,13-14,22H,3,10-12,15-18H2,1-2H3
• InChIKey: OMRHERZRKHDIBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-4-{[1-(3-methoxypropanoyl)piperidin-4-yl]oxy}-N-(pyridin-4-ylmethyl)benzamide
• IUPAC Traditional name: N-ethyl-4-{[1-(3-methoxypropanoyl)piperidin-4-yl]oxy}-N-(pyridin-4-ylmethyl)benzamide
• Synonyms: N-ethyl-4-{[1-(3-methoxypropanoyl)-4-piperidinyl]oxy}-N-(4-pyridinylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.1841663
• LogD (pH = 7.4): 1.2921478
• Log P: 1.2937673
• Molar Refractivity: 119.4724 cm^3
• Polarizability: 45.806038 Å^3
• Polar Surface Area: 71.97 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: 1.23
• LOG S: -2.81
• Polar Surface Area: 71.97 Å^2
• Rotatable Bonds: 7