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

• ChemBase ID: 762711
• Molecular Formular: C16H23N3O3
• Molecular Mass: 305.37212
• Monoisotopic Mass: 305.17394161
• SMILES: N1(C(=O)N)CC(C(=O)NCCCOc2ccccc2)CCC1
• Canonical SMILES: O=C(C1CCCN(C1)C(=O)N)NCCCOc1ccccc1
• InChI: InChI=1S/C16H23N3O3/c17-16(21)19-10-4-6-13(12-19)15(20)18-9-5-11-22-14-7-2-1-3-8-14/h1-3,7-8,13H,4-6,9-12H2,(H2,17,21)(H,18,20)
• InChIKey: UZMYTBKNGSVGTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.417519
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.433279
• LogD (pH = 7.4): 0.43327916
• Log P: 0.4332792
• Molar Refractivity: 83.3004 cm^3
• Polarizability: 32.263798 Å^3
• Polar Surface Area: 84.66 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.16
• LOG S: -2.87
• Polar Surface Area: 84.66 Å^2
• Rotatable Bonds: 6