N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(1H-pyrazol-1-yl)acetamide

• ChemBase ID: 751858
• Molecular Formular: C17H28N4O
• Molecular Mass: 304.43042
• Monoisotopic Mass: 304.22631154
• SMILES: n1(nccc1)CC(=O)NC1CN(CC2CCCCC2)CCC1
• Canonical SMILES: O=C(Cn1cccn1)NC1CCCN(C1)CC1CCCCC1
• InChI: InChI=1S/C17H28N4O/c22-17(14-21-11-5-9-18-21)19-16-8-4-10-20(13-16)12-15-6-2-1-3-7-15/h5,9,11,15-16H,1-4,6-8,10,12-14H2,(H,19,22)
• InChIKey: AKEOGZHEECLWQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(1H-pyrazol-1-yl)acetamide
• IUPAC Traditional name: N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(pyrazol-1-yl)acetamide
• Synonyms: N-[1-(cyclohexylmethyl)-3-piperidinyl]-2-(1H-pyrazol-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.387783
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.4112415
• LogD (pH = 7.4): 0.052466292
• Log P: 1.894315
• Molar Refractivity: 98.7402 cm^3
• Polarizability: 34.19389 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.07
• LOG S: -2.91
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 5