1-cyclohexyl-N-(2-methoxyethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide

• ChemBase ID: 443679
• Molecular Formular: C20H34N4O2
• Molecular Mass: 362.50956
• Monoisotopic Mass: 362.26817635
• SMILES: c1(cn(nc1)C)CN(C(=O)C1CCN(CC1)C1CCCCC1)CCOC
• Canonical SMILES: COCCN(C(=O)C1CCN(CC1)C1CCCCC1)Cc1cnn(c1)C
• InChI: InChI=1S/C20H34N4O2/c1-22-15-17(14-21-22)16-24(12-13-26-2)20(25)18-8-10-23(11-9-18)19-6-4-3-5-7-19/h14-15,18-19H,3-13,16H2,1-2H3
• InChIKey: YHIOYVMREQYVMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexyl-N-(2-methoxyethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide
• IUPAC Traditional name: 1-cyclohexyl-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide
• Synonyms: 1-cyclohexyl-N-(2-methoxyethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.6509475
• LogD (pH = 7.4): -0.7346463
• Log P: 1.8083178
• Molar Refractivity: 115.5593 cm^3
• Polarizability: 40.329765 Å^3
• Polar Surface Area: 50.6 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: 1.95
• LOG S: -3.51
• Polar Surface Area: 50.6 Å^2
• Rotatable Bonds: 7