N-(1H-indazol-6-yl)-2-(3-methoxyphenyl)piperidine-1-carboxamide

• ChemBase ID: 629345
• Molecular Formular: C20H22N4O2
• Molecular Mass: 350.41428
• Monoisotopic Mass: 350.17427596
• SMILES: C(=O)(N1C(c2cc(OC)ccc2)CCCC1)Nc1cc2[nH]ncc2cc1
• Canonical SMILES: COc1cccc(c1)C1CCCCN1C(=O)Nc1ccc2c(c1)[nH]nc2
• InChI: InChI=1S/C20H22N4O2/c1-26-17-6-4-5-14(11-17)19-7-2-3-10-24(19)20(25)22-16-9-8-15-13-21-23-18(15)12-16/h4-6,8-9,11-13,19H,2-3,7,10H2,1H3,(H,21,23)(H,22,25)
• InChIKey: VXUXXAOLBZIOKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1H-indazol-6-yl)-2-(3-methoxyphenyl)piperidine-1-carboxamide
• IUPAC Traditional name: N-(1H-indazol-6-yl)-2-(3-methoxyphenyl)piperidine-1-carboxamide
• Synonyms: N-1H-indazol-6-yl-2-(3-methoxyphenyl)piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.820288
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.1247385
• LogD (pH = 7.4): 3.1247435
• Log P: 3.1247597
• Molar Refractivity: 102.2942 cm^3
• Polarizability: 39.40221 Å^3
• Polar Surface Area: 70.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.0
• LOG S: -4.32
• Polar Surface Area: 70.25 Å^2
• Rotatable Bonds: 3