N3-[3-(4-chlorophenyl)propyl]-N1,N1-dimethylpiperidine-1,3-dicarboxamide

• ChemBase ID: 320850
• Molecular Formular: C18H26ClN3O2
• Molecular Mass: 351.87094
• Monoisotopic Mass: 351.17135477
• SMILES: C(=O)(N1CC(C(=O)NCCCc2ccc(Cl)cc2)CCC1)N(C)C
• Canonical SMILES: O=C(C1CCCN(C1)C(=O)N(C)C)NCCCc1ccc(cc1)Cl
• InChI: InChI=1S/C18H26ClN3O2/c1-21(2)18(24)22-12-4-6-15(13-22)17(23)20-11-3-5-14-7-9-16(19)10-8-14/h7-10,15H,3-6,11-13H2,1-2H3,(H,20,23)
• InChIKey: IFJBVTWYXXQIOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N3-[3-(4-chlorophenyl)propyl]-N1,N1-dimethylpiperidine-1,3-dicarboxamide
• IUPAC Traditional name: N3-[3-(4-chlorophenyl)propyl]-N1,N1-dimethylpiperidine-1,3-dicarboxamide
• Synonyms: N~3~-[3-(4-chlorophenyl)propyl]-N~1~,N~1~-dimethyl-1,3-piperidinedicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.167419
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.2383695
• LogD (pH = 7.4): 2.2383697
• Log P: 2.2383697
• Molar Refractivity: 96.4496 cm^3
• Polarizability: 37.1291 Å^3
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.68
• LOG S: -4.05
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 5