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

• ChemBase ID: 746460
• Molecular Formular: C19H26N4O
• Molecular Mass: 326.43594
• Monoisotopic Mass: 326.21066147
• SMILES: n1(nccc1)CC(=O)NC1CN(CCCc2ccccc2)CCC1
• Canonical SMILES: O=C(Cn1cccn1)NC1CCCN(C1)CCCc1ccccc1
• InChI: InChI=1S/C19H26N4O/c24-19(16-23-14-6-11-20-23)21-18-10-5-13-22(15-18)12-4-9-17-7-2-1-3-8-17/h1-3,6-8,11,14,18H,4-5,9-10,12-13,15-16H2,(H,21,24)
• InChIKey: RBNBWPDXZDKFEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.333317
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.7116867
• LogD (pH = 7.4): 1.0210083
• Log P: 2.2377348
• Molar Refractivity: 106.9638 cm^3
• Polarizability: 37.078114 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.9
• LOG S: -3.36
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 7