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

• ChemBase ID: 451815
• Molecular Formular: C24H28N4O
• Molecular Mass: 388.50532
• Monoisotopic Mass: 388.22631154
• SMILES: C(=O)(N(C1CN(CCc2ccccc2)CCC1)C)c1cc(n2nccc2)ccc1
• Canonical SMILES: CN(C(=O)c1cccc(c1)n1cccn1)C1CCCN(C1)CCc1ccccc1
• InChI: InChI=1S/C24H28N4O/c1-26(24(29)21-10-5-11-22(18-21)28-16-7-14-25-28)23-12-6-15-27(19-23)17-13-20-8-3-2-4-9-20/h2-5,7-11,14,16,18,23H,6,12-13,15,17,19H2,1H3
• InChIKey: HJURRGGIKYCHJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.9527596
• LogD (pH = 7.4): 2.6982117
• Log P: 3.8544002
• Molar Refractivity: 117.8894 cm^3
• Polarizability: 45.314907 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: -4.83
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 6