4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-[1-(pyridin-2-yl)propan-2-yl]benzamide

• ChemBase ID: 494636
• Molecular Formular: C24H29N3O3
• Molecular Mass: 407.50536
• Monoisotopic Mass: 407.2208918
• SMILES: C(=O)(N1CCC(CC1)Oc1ccc(C(=O)NC(Cc2ncccc2)C)cc1)C1CC1
• Canonical SMILES: CC(NC(=O)c1ccc(cc1)OC1CCN(CC1)C(=O)C1CC1)Cc1ccccn1
• InChI: InChI=1S/C24H29N3O3/c1-17(16-20-4-2-3-13-25-20)26-23(28)18-7-9-21(10-8-18)30-22-11-14-27(15-12-22)24(29)19-5-6-19/h2-4,7-10,13,17,19,22H,5-6,11-12,14-16H2,1H3,(H,26,28)
• InChIKey: FRECVJLWABFHPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-[1-(pyridin-2-yl)propan-2-yl]benzamide
• IUPAC Traditional name: 4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-[1-(pyridin-2-yl)propan-2-yl]benzamide
• Synonyms: 4-{[1-(cyclopropylcarbonyl)-4-piperidinyl]oxy}-N-[1-methyl-2-(2-pyridinyl)ethyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.155399
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.121968
• LogD (pH = 7.4): 2.164673
• Log P: 2.165248
• Molar Refractivity: 114.6695 cm^3
• Polarizability: 44.381107 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: 0.98
• LOG S: -5.15
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 7