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

• ChemBase ID: 386679
• Molecular Formular: C24H31N3O
• Molecular Mass: 377.52244
• Monoisotopic Mass: 377.24671263
• SMILES: N1(C2CCN(CC2)C)CC(NC(=O)c2cc(c3ccccc3)ccc2)CCC1
• Canonical SMILES: CN1CCC(CC1)N1CCCC(C1)NC(=O)c1cccc(c1)c1ccccc1
• InChI: InChI=1S/C24H31N3O/c1-26-15-12-23(13-16-26)27-14-6-11-22(18-27)25-24(28)21-10-5-9-20(17-21)19-7-3-2-4-8-19/h2-5,7-10,17,22-23H,6,11-16,18H2,1H3,(H,25,28)
• InChIKey: XTLWYXJKZLHGQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.150641
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5141512
• LogD (pH = 7.4): 1.1510737
• Log P: 3.2058027
• Molar Refractivity: 115.8507 cm^3
• Polarizability: 46.0393 Å^3
• Polar Surface Area: 35.58 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: 3.7
• LOG S: -4.08
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 4