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

• ChemBase ID: 415127
• Molecular Formular: C23H28N4O
• Molecular Mass: 376.49462
• Monoisotopic Mass: 376.22631154
• SMILES: c1(n[nH]c2c1cccc2)C(=O)N(C1CN(CCCc2ccccc2)CCC1)C
• Canonical SMILES: CN(C(=O)c1n[nH]c2c1cccc2)C1CCCN(C1)CCCc1ccccc1
• InChI: InChI=1S/C23H28N4O/c1-26(23(28)22-20-13-5-6-14-21(20)24-25-22)19-12-8-16-27(17-19)15-7-11-18-9-3-2-4-10-18/h2-6,9-10,13-14,19H,7-8,11-12,15-17H2,1H3,(H,24,25)
• InChIKey: XOTHTNWJOLRXOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.211426
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.8900979
• LogD (pH = 7.4): 2.5919583
• Log P: 3.7158527
• Molar Refractivity: 113.7718 cm^3
• Polarizability: 44.41491 Å^3
• Polar Surface Area: 52.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.29
• LOG S: -4.97
• Polar Surface Area: 52.23 Å^2
• Rotatable Bonds: 6