1-cyclopentanecarbonyl-N-methyl-N-[(trimethyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide

• ChemBase ID: 556682
• Molecular Formular: C20H32N4O2
• Molecular Mass: 360.49368
• Monoisotopic Mass: 360.25252628
• SMILES: c1(c(n(nc1C)C)C)CN(C(=O)C1CCN(C(=O)C2CCCC2)CC1)C
• Canonical SMILES: CN(C(=O)C1CCN(CC1)C(=O)C1CCCC1)Cc1c(C)nn(c1C)C
• InChI: InChI=1S/C20H32N4O2/c1-14-18(15(2)23(4)21-14)13-22(3)19(25)17-9-11-24(12-10-17)20(26)16-7-5-6-8-16/h16-17H,5-13H2,1-4H3
• InChIKey: ZOGCNRTYDBFTRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentanecarbonyl-N-methyl-N-[(trimethyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide
• IUPAC Traditional name: 1-cyclopentanecarbonyl-N-methyl-N-[(trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide
• Synonyms: 1-(cyclopentylcarbonyl)-N-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-4-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.2807093
• LogD (pH = 7.4): 1.282756
• Log P: 1.2827822
• Molar Refractivity: 114.1152 cm^3
• Polarizability: 39.169174 Å^3
• Polar Surface Area: 58.44 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.4
• LOG S: -3.02
• Polar Surface Area: 58.44 Å^2
• Rotatable Bonds: 4