N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-(morpholin-4-yl)benzamide

• ChemBase ID: 340275
• Molecular Formular: C22H34N4O2
• Molecular Mass: 386.53096
• Monoisotopic Mass: 386.26817635
• SMILES: N1(C2CCN(CC2)C)CC(NC(=O)c2ccc(N3CCOCC3)cc2)CCC1
• Canonical SMILES: CN1CCC(CC1)N1CCCC(C1)NC(=O)c1ccc(cc1)N1CCOCC1
• InChI: InChI=1S/C22H34N4O2/c1-24-11-8-21(9-12-24)26-10-2-3-19(17-26)23-22(27)18-4-6-20(7-5-18)25-13-15-28-16-14-25/h4-7,19,21H,2-3,8-17H2,1H3,(H,23,27)
• InChIKey: XLJVSGQDQLYNEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-(morpholin-4-yl)benzamide
• IUPAC Traditional name: N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-(morpholin-4-yl)benzamide
• Synonyms: N-(1'-methyl-1,4'-bipiperidin-3-yl)-4-(4-morpholinyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.766141
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -3.3110282
• LogD (pH = 7.4): -0.6441746
• Log P: 1.4481207
• Molar Refractivity: 114.2176 cm^3
• Polarizability: 43.48022 Å^3
• Polar Surface Area: 48.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.82
• LOG S: -2.66
• Polar Surface Area: 48.05 Å^2
• Rotatable Bonds: 4