3-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]-N-cyclopropylpropanamide

• ChemBase ID: 503380
• Molecular Formular: C23H35N3O
• Molecular Mass: 369.5435
• Monoisotopic Mass: 369.27801276
• SMILES: N1(C2CCN(CC2)Cc2ccccc2)CCC(CC1)CCC(=O)NC1CC1
• Canonical SMILES: O=C(NC1CC1)CCC1CCN(CC1)C1CCN(CC1)Cc1ccccc1
• InChI: InChI=1S/C23H35N3O/c27-23(24-21-7-8-21)9-6-19-10-16-26(17-11-19)22-12-14-25(15-13-22)18-20-4-2-1-3-5-20/h1-5,19,21-22H,6-18H2,(H,24,27)
• InChIKey: SVFACCXNGCSSON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]-N-cyclopropylpropanamide
• IUPAC Traditional name: 3-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]-N-cyclopropylpropanamide
• Synonyms: 3-(1'-benzyl-1,4'-bipiperidin-4-yl)-N-cyclopropylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.896864
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.65273
• LogD (pH = 7.4): -0.5324241
• Log P: 2.5300274
• Molar Refractivity: 111.5399 cm^3
• Polarizability: 43.730083 Å^3
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.07
• LOG S: -3.25
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 7