1-cyclopentyl-N-(2-methoxyethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide

• ChemBase ID: 670479
• Molecular Formular: C19H30N4O3
• Molecular Mass: 362.4665
• Monoisotopic Mass: 362.23179084
• SMILES: N1(CC(C(=O)N(Cc2cn(nc2)C)CCOC)CCC1=O)C1CCCC1
• Canonical SMILES: COCCN(C(=O)C1CCC(=O)N(C1)C1CCCC1)Cc1cnn(c1)C
• InChI: InChI=1S/C19H30N4O3/c1-21-12-15(11-20-21)13-22(9-10-26-2)19(25)16-7-8-18(24)23(14-16)17-5-3-4-6-17/h11-12,16-17H,3-10,13-14H2,1-2H3
• InChIKey: MUITYAMVKKGLHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentyl-N-(2-methoxyethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
• IUPAC Traditional name: 1-cyclopentyl-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
• Synonyms: 1-cyclopentyl-N-(2-methoxyethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-6-oxo-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.5676756
• LogD (pH = 7.4): 0.56775546
• Log P: 0.5677565
• Molar Refractivity: 110.4298 cm^3
• Polarizability: 38.20164 Å^3
• Polar Surface Area: 67.67 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: 0.4
• LOG S: -2.18
• Polar Surface Area: 67.67 Å^2
• Rotatable Bonds: 7