N-ethyl-4-(piperidin-3-yl)-N-[2-(1H-pyrazol-1-yl)ethyl]benzamide

• ChemBase ID: 522566
• Molecular Formular: C19H26N4O
• Molecular Mass: 326.43594
• Monoisotopic Mass: 326.21066147
• SMILES: C(=O)(N(CCn1nccc1)CC)c1ccc(cc1)C1CNCCC1
• Canonical SMILES: CCN(C(=O)c1ccc(cc1)C1CCCNC1)CCn1cccn1
• InChI: InChI=1S/C19H26N4O/c1-2-22(13-14-23-12-4-11-21-23)19(24)17-8-6-16(7-9-17)18-5-3-10-20-15-18/h4,6-9,11-12,18,20H,2-3,5,10,13-15H2,1H3
• InChIKey: HJCLAJMKYNRTRS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-4-(piperidin-3-yl)-N-[2-(1H-pyrazol-1-yl)ethyl]benzamide
• IUPAC Traditional name: N-ethyl-4-(piperidin-3-yl)-N-[2-(pyrazol-1-yl)ethyl]benzamide
• Synonyms: N-ethyl-4-piperidin-3-yl-N-[2-(1H-pyrazol-1-yl)ethyl]benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.1778084
• LogD (pH = 7.4): -0.4654584
• Log P: 2.0406458
• Molar Refractivity: 108.0148 cm^3
• Polarizability: 36.85433 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.56
• LOG S: -2.91
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 6