N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-(1-propylpiperidin-4-yl)acetamide

• ChemBase ID: 332097
• Molecular Formular: C21H40N4O
• Molecular Mass: 364.5685
• Monoisotopic Mass: 364.32021192
• SMILES: N1(C2CCN(CC2)C)CC(NC(=O)CC2CCN(CC2)CCC)CCC1
• Canonical SMILES: CCCN1CCC(CC1)CC(=O)NC1CCCN(C1)C1CCN(CC1)C
• InChI: InChI=1S/C21H40N4O/c1-3-10-24-14-6-18(7-15-24)16-21(26)22-19-5-4-11-25(17-19)20-8-12-23(2)13-9-20/h18-20H,3-17H2,1-2H3,(H,22,26)
• InChIKey: FZWUSEVQZNHELB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-(1-propylpiperidin-4-yl)acetamide
• IUPAC Traditional name: N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-(1-propylpiperidin-4-yl)acetamide
• Synonyms: N-(1'-methyl-1,4'-bipiperidin-3-yl)-2-(1-propyl-4-piperidinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.167488
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -6.895327
• LogD (pH = 7.4): -2.8429146
• Log P: 1.2589606
• Molar Refractivity: 109.618 cm^3
• Polarizability: 43.0178 Å^3
• Polar Surface Area: 38.82 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.51
• LOG S: -1.61
• Polar Surface Area: 38.82 Å^2
• Rotatable Bonds: 4