N-[3-(1H-indazol-1-yl)propyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide

• ChemBase ID: 492042
• Molecular Formular: C19H26N4O3
• Molecular Mass: 358.43474
• Monoisotopic Mass: 358.20049071
• SMILES: n1n(c2c(c1)cccc2)CCCNC(=O)C1CN(C(=O)CC1)CCOC
• Canonical SMILES: COCCN1CC(CCC1=O)C(=O)NCCCn1ncc2c1cccc2
• InChI: InChI=1S/C19H26N4O3/c1-26-12-11-22-14-16(7-8-18(22)24)19(25)20-9-4-10-23-17-6-3-2-5-15(17)13-21-23/h2-3,5-6,13,16H,4,7-12,14H2,1H3,(H,20,25)
• InChIKey: KVKLRSBNBMBOFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(1H-indazol-1-yl)propyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
• IUPAC Traditional name: N-[3-(indazol-1-yl)propyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
• Synonyms: N-[3-(1H-indazol-1-yl)propyl]-1-(2-methoxyethyl)-6-oxo-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.670884
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.14545012
• LogD (pH = 7.4): 0.14546372
• Log P: 0.1454639
• Molar Refractivity: 109.7894 cm^3
• Polarizability: 39.117344 Å^3
• Polar Surface Area: 76.46 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.37
• LOG S: -3.02
• Polar Surface Area: 76.46 Å^2
• Rotatable Bonds: 7