1-cyclopentanecarbonyl-N-[1-(1,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidine-4-carboxamide

• ChemBase ID: 515480
• Molecular Formular: C19H30N4O2
• Molecular Mass: 346.4671
• Monoisotopic Mass: 346.23687622
• SMILES: c1(c(n(nc1)C)C)C(NC(=O)C1CCN(C(=O)C2CCCC2)CC1)C
• Canonical SMILES: CC(c1cnn(c1C)C)NC(=O)C1CCN(CC1)C(=O)C1CCCC1
• InChI: InChI=1S/C19H30N4O2/c1-13(17-12-20-22(3)14(17)2)21-18(24)15-8-10-23(11-9-15)19(25)16-6-4-5-7-16/h12-13,15-16H,4-11H2,1-3H3,(H,21,24)
• InChIKey: FIICNVXRNIWSCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentanecarbonyl-N-[1-(1,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidine-4-carboxamide
• IUPAC Traditional name: 1-cyclopentanecarbonyl-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide
• Synonyms: 1-(cyclopentylcarbonyl)-N-[1-(1,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.43639
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3440816
• LogD (pH = 7.4): 1.3443081
• Log P: 1.344311
• Molar Refractivity: 109.0458 cm^3
• Polarizability: 37.40991 Å^3
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.99
• LOG S: -2.57
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 4