N-(1-ethyl-1H-pyrazol-4-yl)-4-(1-hydroxy-3-phenylpropyl)piperidine-1-carboxamide

• ChemBase ID: 438592
• Molecular Formular: C20H28N4O2
• Molecular Mass: 356.46192
• Monoisotopic Mass: 356.22122616
• SMILES: C(=O)(N1CCC(CC1)C(CCc1ccccc1)O)Nc1cn(nc1)CC
• Canonical SMILES: CCn1ncc(c1)NC(=O)N1CCC(CC1)C(CCc1ccccc1)O
• InChI: InChI=1S/C20H28N4O2/c1-2-24-15-18(14-21-24)22-20(26)23-12-10-17(11-13-23)19(25)9-8-16-6-4-3-5-7-16/h3-7,14-15,17,19,25H,2,8-13H2,1H3,(H,22,26)
• InChIKey: UNIFULBEOPRBAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-ethyl-1H-pyrazol-4-yl)-4-(1-hydroxy-3-phenylpropyl)piperidine-1-carboxamide
• IUPAC Traditional name: N-(1-ethylpyrazol-4-yl)-4-(1-hydroxy-3-phenylpropyl)piperidine-1-carboxamide
• Synonyms: N-(1-ethyl-1H-pyrazol-4-yl)-4-(1-hydroxy-3-phenylpropyl)piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.313648
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.4055405
• LogD (pH = 7.4): 2.4055107
• Log P: 2.4055612
• Molar Refractivity: 115.2242 cm^3
• Polarizability: 39.05664 Å^3
• Polar Surface Area: 70.39 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.07
• LOG S: -3.57
• Polar Surface Area: 70.39 Å^2
• Rotatable Bonds: 6