2-(1H-indazol-1-yl)-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide

• ChemBase ID: 510407
• Molecular Formular: C24H30N4O
• Molecular Mass: 390.5212
• Monoisotopic Mass: 390.2419616
• SMILES: n1(ncc2c1cccc2)CC(=O)N(C1CN(CCCc2ccccc2)CCC1)C
• Canonical SMILES: CN(C(=O)Cn1ncc2c1cccc2)C1CCCN(C1)CCCc1ccccc1
• InChI: InChI=1S/C24H30N4O/c1-26(24(29)19-28-23-14-6-5-12-21(23)17-25-28)22-13-8-16-27(18-22)15-7-11-20-9-3-2-4-10-20/h2-6,9-10,12,14,17,22H,7-8,11,13,15-16,18-19H2,1H3
• InChIKey: IRXKYHVDQILBBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1H-indazol-1-yl)-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
• IUPAC Traditional name: 2-(indazol-1-yl)-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
• Synonyms: 2-(1H-indazol-1-yl)-N-methyl-N-[1-(3-phenylpropyl)-3-piperidinyl]acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.39724055
• LogD (pH = 7.4): 2.0749311
• Log P: 3.4802887
• Molar Refractivity: 128.1882 cm^3
• Polarizability: 46.470615 Å^3
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.82
• LOG S: -4.28
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 7