1-[3-(morpholin-4-yl)propyl]-6-oxo-N-[2-(pyridin-3-yloxy)ethyl]piperidine-3-carboxamide

• ChemBase ID: 844359
• Molecular Formular: C20H30N4O4
• Molecular Mass: 390.4766
• Monoisotopic Mass: 390.22670546
• SMILES: N1(C(=O)CCC(C(=O)NCCOc2cnccc2)C1)CCCN1CCOCC1
• Canonical SMILES: O=C(C1CCC(=O)N(C1)CCCN1CCOCC1)NCCOc1cccnc1
• InChI: InChI=1S/C20H30N4O4/c25-19-5-4-17(16-24(19)9-2-8-23-10-13-27-14-11-23)20(26)22-7-12-28-18-3-1-6-21-15-18/h1,3,6,15,17H,2,4-5,7-14,16H2,(H,22,26)
• InChIKey: CBOZSIFOBBGLLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-(morpholin-4-yl)propyl]-6-oxo-N-[2-(pyridin-3-yloxy)ethyl]piperidine-3-carboxamide
• IUPAC Traditional name: 1-[3-(morpholin-4-yl)propyl]-6-oxo-N-[2-(pyridin-3-yloxy)ethyl]piperidine-3-carboxamide
• Synonyms: 1-[3-(4-morpholinyl)propyl]-6-oxo-N-[2-(3-pyridinyloxy)ethyl]-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.237115
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -2.312912
• LogD (pH = 7.4): -0.94990116
• Log P: -0.8294982
• Molar Refractivity: 104.9147 cm^3
• Polarizability: 40.9447 Å^3
• Polar Surface Area: 84.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.56
• LOG S: -0.59
• Polar Surface Area: 84.0 Å^2
• Rotatable Bonds: 9