N3-[3-(2-methoxyphenoxy)propyl]-N3-methylpiperidine-1,3-dicarboxamide

• ChemBase ID: 864809
• Molecular Formular: C18H27N3O4
• Molecular Mass: 349.42468
• Monoisotopic Mass: 349.20015636
• SMILES: N1(C(=O)N)CC(C(=O)N(CCCOc2c(OC)cccc2)C)CCC1
• Canonical SMILES: COc1ccccc1OCCCN(C(=O)C1CCCN(C1)C(=O)N)C
• InChI: InChI=1S/C18H27N3O4/c1-20(17(22)14-7-5-11-21(13-14)18(19)23)10-6-12-25-16-9-4-3-8-15(16)24-2/h3-4,8-9,14H,5-7,10-13H2,1-2H3,(H2,19,23)
• InChIKey: SIBGTZYWJHUWEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N3-[3-(2-methoxyphenoxy)propyl]-N3-methylpiperidine-1,3-dicarboxamide
• IUPAC Traditional name: N3-[3-(2-methoxyphenoxy)propyl]-N3-methylpiperidine-1,3-dicarboxamide
• Synonyms: N~3~-[3-(2-methoxyphenoxy)propyl]-N~3~-methyl-1,3-piperidinedicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.874498
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.49928358
• LogD (pH = 7.4): 0.49928397
• Log P: 0.49928397
• Molar Refractivity: 94.6603 cm^3
• Polarizability: 36.636955 Å^3
• Polar Surface Area: 85.1 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.13
• LOG S: -3.17
• Polar Surface Area: 85.1 Å^2
• Rotatable Bonds: 7