N-(2,5-dimethoxyphenyl)-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide

• ChemBase ID: 692914
• Molecular Formular: C19H29N3O4
• Molecular Mass: 363.45126
• Monoisotopic Mass: 363.21580642
• SMILES: C(=O)(N1C(CN2CCOCC2)CCCC1)Nc1cc(ccc1OC)OC
• Canonical SMILES: COc1ccc(cc1NC(=O)N1CCCCC1CN1CCOCC1)OC
• InChI: InChI=1S/C19H29N3O4/c1-24-16-6-7-18(25-2)17(13-16)20-19(23)22-8-4-3-5-15(22)14-21-9-11-26-12-10-21/h6-7,13,15H,3-5,8-12,14H2,1-2H3,(H,20,23)
• InChIKey: NGYJTLLCZNGUQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,5-dimethoxyphenyl)-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide
• IUPAC Traditional name: N-(2,5-dimethoxyphenyl)-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide
• Synonyms: N-(2,5-dimethoxyphenyl)-2-(4-morpholinylmethyl)-1-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.631658
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.44020218
• LogD (pH = 7.4): 1.6303698
• Log P: 1.7196975
• Molar Refractivity: 101.2233 cm^3
• Polarizability: 38.733055 Å^3
• Polar Surface Area: 63.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.62
• LOG S: -3.23
• Polar Surface Area: 63.27 Å^2
• Rotatable Bonds: 5