N3-methyl-N3-(3-phenoxypropyl)piperidine-1,3-dicarboxamide

• ChemBase ID: 645492
• Molecular Formular: C17H25N3O3
• Molecular Mass: 319.3987
• Monoisotopic Mass: 319.18959168
• SMILES: N1(C(=O)N)CC(C(=O)N(CCCOc2ccccc2)C)CCC1
• Canonical SMILES: O=C(C1CCCN(C1)C(=O)N)N(CCCOc1ccccc1)C
• InChI: InChI=1S/C17H25N3O3/c1-19(10-6-12-23-15-8-3-2-4-9-15)16(21)14-7-5-11-20(13-14)17(18)22/h2-4,8-9,14H,5-7,10-13H2,1H3,(H2,18,22)
• InChIKey: IPAMELOUHNXBKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N3-methyl-N3-(3-phenoxypropyl)piperidine-1,3-dicarboxamide
• IUPAC Traditional name: N3-methyl-N3-(3-phenoxypropyl)piperidine-1,3-dicarboxamide
• Synonyms: N~3~-methyl-N~3~-(3-phenoxypropyl)-1,3-piperidinedicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.874498
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.6569548
• LogD (pH = 7.4): 0.65695524
• Log P: 0.65695524
• Molar Refractivity: 88.1971 cm^3
• Polarizability: 34.10042 Å^3
• Polar Surface Area: 75.87 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.31
• LOG S: -3.1
• Polar Surface Area: 75.87 Å^2
• Rotatable Bonds: 6