3-acetamido-N-[1-(3-phenylpropyl)piperidin-3-yl]benzamide

• ChemBase ID: 604351
• Molecular Formular: C23H29N3O2
• Molecular Mass: 379.49526
• Monoisotopic Mass: 379.22597718
• SMILES: C(=O)(NC1CN(CCCc2ccccc2)CCC1)c1cc(NC(=O)C)ccc1
• Canonical SMILES: CC(=O)Nc1cccc(c1)C(=O)NC1CCCN(C1)CCCc1ccccc1
• InChI: InChI=1S/C23H29N3O2/c1-18(27)24-21-12-5-11-20(16-21)23(28)25-22-13-7-15-26(17-22)14-6-10-19-8-3-2-4-9-19/h2-5,8-9,11-12,16,22H,6-7,10,13-15,17H2,1H3,(H,24,27)(H,25,28)
• InChIKey: XIXSSNAZUWXABJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-acetamido-N-[1-(3-phenylpropyl)piperidin-3-yl]benzamide
• IUPAC Traditional name: 3-acetamido-N-[1-(3-phenylpropyl)piperidin-3-yl]benzamide
• Synonyms: 3-(acetylamino)-N-[1-(3-phenylpropyl)-3-piperidinyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.922847
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.34154016
• LogD (pH = 7.4): 2.090588
• Log P: 3.2271845
• Molar Refractivity: 114.095 cm^3
• Polarizability: 43.091396 Å^3
• Polar Surface Area: 61.44 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: 3.5
• LOG S: -5.02
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 7