N-(1-cyclopropanecarbonylpiperidin-3-yl)-4-pentanamidobenzamide

• ChemBase ID: 341830
• Molecular Formular: C21H29N3O3
• Molecular Mass: 371.47326
• Monoisotopic Mass: 371.2208918
• SMILES: N1(C(=O)C2CC2)CC(NC(=O)c2ccc(NC(=O)CCCC)cc2)CCC1
• Canonical SMILES: CCCCC(=O)Nc1ccc(cc1)C(=O)NC1CCCN(C1)C(=O)C1CC1
• InChI: InChI=1S/C21H29N3O3/c1-2-3-6-19(25)22-17-11-9-15(10-12-17)20(26)23-18-5-4-13-24(14-18)21(27)16-7-8-16/h9-12,16,18H,2-8,13-14H2,1H3,(H,22,25)(H,23,26)
• InChIKey: IEUIIWPPFJWURK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-cyclopropanecarbonylpiperidin-3-yl)-4-pentanamidobenzamide
• IUPAC Traditional name: N-(1-cyclopropanecarbonylpiperidin-3-yl)-4-pentanamidobenzamide
• Synonyms: N-[1-(cyclopropylcarbonyl)piperidin-3-yl]-4-(pentanoylamino)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.592441
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.365845
• LogD (pH = 7.4): 2.365845
• Log P: 2.3658454
• Molar Refractivity: 105.6257 cm^3
• Polarizability: 39.899734 Å^3
• Polar Surface Area: 78.51 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.02
• LOG S: -3.63
• Polar Surface Area: 78.51 Å^2
• Rotatable Bonds: 7