N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-1-[(2-methoxyphenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide

• ChemBase ID: 571293
• Molecular Formular: C23H32N4O3
• Molecular Mass: 412.52518
• Monoisotopic Mass: 412.2474409
• SMILES: N1(C(=O)CCC(C(=O)N(CCCn2nc(cc2C)C)C)C1)Cc1c(OC)cccc1
• Canonical SMILES: COc1ccccc1CN1CC(CCC1=O)C(=O)N(CCCn1nc(cc1C)C)C
• InChI: InChI=1S/C23H32N4O3/c1-17-14-18(2)27(24-17)13-7-12-25(3)23(29)20-10-11-22(28)26(16-20)15-19-8-5-6-9-21(19)30-4/h5-6,8-9,14,20H,7,10-13,15-16H2,1-4H3
• InChIKey: NZWGJOWEBFQSIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-1-[(2-methoxyphenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
• IUPAC Traditional name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-[(2-methoxyphenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
• Synonyms: N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-1-(2-methoxybenzyl)-N-methyl-6-oxo-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.2919112
• LogD (pH = 7.4): 1.2949322
• Log P: 1.294971
• Molar Refractivity: 128.1319 cm^3
• Polarizability: 44.721024 Å^3
• Polar Surface Area: 67.67 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.18
• LOG S: -3.9
• Polar Surface Area: 67.67 Å^2
• Rotatable Bonds: 7