N-methyl-4-(piperidin-1-ylmethyl)-N-[3-(1H-pyrazol-1-yl)propyl]benzamide

• ChemBase ID: 360355
• Molecular Formular: C20H28N4O
• Molecular Mass: 340.46252
• Monoisotopic Mass: 340.22631154
• SMILES: C(=O)(c1ccc(CN2CCCCC2)cc1)N(CCCn1nccc1)C
• Canonical SMILES: CN(C(=O)c1ccc(cc1)CN1CCCCC1)CCCn1cccn1
• InChI: InChI=1S/C20H28N4O/c1-22(12-6-16-24-15-5-11-21-24)20(25)19-9-7-18(8-10-19)17-23-13-3-2-4-14-23/h5,7-11,15H,2-4,6,12-14,16-17H2,1H3
• InChIKey: UUUSKNKIJYYRRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-4-(piperidin-1-ylmethyl)-N-[3-(1H-pyrazol-1-yl)propyl]benzamide
• IUPAC Traditional name: N-methyl-4-(piperidin-1-ylmethyl)-N-[3-(pyrazol-1-yl)propyl]benzamide
• Synonyms: N-methyl-4-(1-piperidinylmethyl)-N-[3-(1H-pyrazol-1-yl)propyl]benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.8200636
• LogD (pH = 7.4): 0.798187
• Log P: 2.352542
• Molar Refractivity: 113.4723 cm^3
• Polarizability: 38.77332 Å^3
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.45
• LOG S: -2.92
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 7