4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-[1-(pyridin-4-yl)propyl]benzamide

• ChemBase ID: 634194
• Molecular Formular: C24H29N3O3
• Molecular Mass: 407.50536
• Monoisotopic Mass: 407.2208918
• SMILES: C(=O)(N1CCC(CC1)Oc1ccc(C(=O)NC(c2ccncc2)CC)cc1)C1CC1
• Canonical SMILES: CCC(c1ccncc1)NC(=O)c1ccc(cc1)OC1CCN(CC1)C(=O)C1CC1
• InChI: InChI=1S/C24H29N3O3/c1-2-22(17-9-13-25-14-10-17)26-23(28)18-5-7-20(8-6-18)30-21-11-15-27(16-12-21)24(29)19-3-4-19/h5-10,13-14,19,21-22H,2-4,11-12,15-16H2,1H3,(H,26,28)
• InChIKey: YBACRWPLBWIDJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.0901165
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.2610843
• LogD (pH = 7.4): 2.3676903
• Log P: 2.3692858
• Molar Refractivity: 115.0163 cm^3
• Polarizability: 44.377995 Å^3
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.38
• LOG S: -4.73
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 6