4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-methyl-N-[(3-methylpyridin-4-yl)methyl]benzamide

• ChemBase ID: 690211
• Molecular Formular: C24H29N3O3
• Molecular Mass: 407.50536
• Monoisotopic Mass: 407.2208918
• SMILES: C(=O)(N1CCC(CC1)Oc1ccc(C(=O)N(Cc2c(cncc2)C)C)cc1)C1CC1
• Canonical SMILES: O=C(N1CCC(CC1)Oc1ccc(cc1)C(=O)N(Cc1ccncc1C)C)C1CC1
• InChI: InChI=1S/C24H29N3O3/c1-17-15-25-12-9-20(17)16-26(2)23(28)18-5-7-21(8-6-18)30-22-10-13-27(14-11-22)24(29)19-3-4-19/h5-9,12,15,19,22H,3-4,10-11,13-14,16H2,1-2H3
• InChIKey: RZERDLHTJGRHLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-methyl-N-[(3-methylpyridin-4-yl)methyl]benzamide
• IUPAC Traditional name: 4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-methyl-N-[(3-methylpyridin-4-yl)methyl]benzamide
• Synonyms: 4-{[1-(cyclopropylcarbonyl)-4-piperidinyl]oxy}-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.8916912
• LogD (pH = 7.4): 2.1619294
• Log P: 2.1672857
• Molar Refractivity: 116.0114 cm^3
• Polarizability: 44.30231 Å^3
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.98
• LOG S: -3.74
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 6