N-[1-(3-phenylpropyl)piperidin-3-yl]-1H-indazole-3-carboxamide

• ChemBase ID: 313619
• Molecular Formular: C22H26N4O
• Molecular Mass: 362.46804
• Monoisotopic Mass: 362.21066147
• SMILES: c1(n[nH]c2c1cccc2)C(=O)NC1CN(CCCc2ccccc2)CCC1
• Canonical SMILES: O=C(c1n[nH]c2c1cccc2)NC1CCCN(C1)CCCc1ccccc1
• InChI: InChI=1S/C22H26N4O/c27-22(21-19-12-4-5-13-20(19)24-25-21)23-18-11-7-15-26(16-18)14-6-10-17-8-2-1-3-9-17/h1-5,8-9,12-13,18H,6-7,10-11,14-16H2,(H,23,27)(H,24,25)
• InChIKey: VZUQGWLNEJGUEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(3-phenylpropyl)piperidin-3-yl]-1H-indazole-3-carboxamide
• IUPAC Traditional name: N-[1-(3-phenylpropyl)piperidin-3-yl]-1H-indazole-3-carboxamide
• Synonyms: N-[1-(3-phenylpropyl)-3-piperidinyl]-1H-indazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.231345
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.81125134
• LogD (pH = 7.4): 2.559067
• Log P: 3.417153
• Molar Refractivity: 108.8751 cm^3
• Polarizability: 42.569008 Å^3
• Polar Surface Area: 61.02 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 4.54
• LOG S: -5.11
• Polar Surface Area: 61.02 Å^2
• Rotatable Bonds: 6