N-(1-methyl-6-oxopiperidin-3-yl)-4-(piperidin-1-ylmethyl)benzamide

• ChemBase ID: 547171
• Molecular Formular: C19H27N3O2
• Molecular Mass: 329.43658
• Monoisotopic Mass: 329.21032712
• SMILES: N1(C(=O)CCC(NC(=O)c2ccc(CN3CCCCC3)cc2)C1)C
• Canonical SMILES: O=C1CCC(CN1C)NC(=O)c1ccc(cc1)CN1CCCCC1
• InChI: InChI=1S/C19H27N3O2/c1-21-14-17(9-10-18(21)23)20-19(24)16-7-5-15(6-8-16)13-22-11-3-2-4-12-22/h5-8,17H,2-4,9-14H2,1H3,(H,20,24)
• InChIKey: WIOBBJFZOYAJLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-methyl-6-oxopiperidin-3-yl)-4-(piperidin-1-ylmethyl)benzamide
• IUPAC Traditional name: N-(1-methyl-6-oxopiperidin-3-yl)-4-(piperidin-1-ylmethyl)benzamide
• Synonyms: N-(1-methyl-6-oxo-3-piperidinyl)-4-(1-piperidinylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.008861
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8023859
• LogD (pH = 7.4): -0.18553151
• Log P: 1.371634
• Molar Refractivity: 95.5736 cm^3
• Polarizability: 36.53079 Å^3
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.01
• LOG S: -2.46
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 4