N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-2-(1H-pyrazol-1-yl)benzamide

• ChemBase ID: 850919
• Molecular Formular: C24H28N4O
• Molecular Mass: 388.50532
• Monoisotopic Mass: 388.22631154
• SMILES: C(=O)(c1c(n2nccc2)cccc1)N(C1CN(CCc2ccccc2)CCC1)C
• Canonical SMILES: CN(C(=O)c1ccccc1n1cccn1)C1CCCN(C1)CCc1ccccc1
• InChI: InChI=1S/C24H28N4O/c1-26(24(29)22-12-5-6-13-23(22)28-17-8-15-25-28)21-11-7-16-27(19-21)18-14-20-9-3-2-4-10-20/h2-6,8-10,12-13,15,17,21H,7,11,14,16,18-19H2,1H3
• InChIKey: YUJNARZSPXFIQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.87443244
• LogD (pH = 7.4): 2.5972087
• Log P: 3.8544002
• Molar Refractivity: 117.8894 cm^3
• Polarizability: 45.319965 Å^3
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.32
• LOG S: -4.41
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 6