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

• ChemBase ID: 789672
• Molecular Formular: C19H35N3O4
• Molecular Mass: 369.4989
• Monoisotopic Mass: 369.26275662
• SMILES: N1(C(=O)CCC(C(=O)NCCCOC(C)C)C1)CCCN1CCOCC1
• Canonical SMILES: CC(OCCCNC(=O)C1CCC(=O)N(C1)CCCN1CCOCC1)C
• InChI: InChI=1S/C19H35N3O4/c1-16(2)26-12-3-7-20-19(24)17-5-6-18(23)22(15-17)9-4-8-21-10-13-25-14-11-21/h16-17H,3-15H2,1-2H3,(H,20,24)
• InChIKey: IXNOQNSQFBCTIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.816339
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.8836396
• LogD (pH = 7.4): -0.58894753
• Log P: -0.4695081
• Molar Refractivity: 101.5957 cm^3
• Polarizability: 39.621037 Å^3
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.72
• LOG S: -0.98
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 9