1-(morpholin-4-yl)-3-[1-(5,6,7,8-tetrahydroquinoline-3-carbonyl)piperidin-3-yl]propan-1-one

• ChemBase ID: 663818
• Molecular Formular: C22H31N3O3
• Molecular Mass: 385.49984
• Monoisotopic Mass: 385.23654187
• SMILES: C(=O)(N1CC(CCC(=O)N2CCOCC2)CCC1)c1cc2c(nc1)CCCC2
• Canonical SMILES: O=C(N1CCOCC1)CCC1CCCN(C1)C(=O)c1cnc2c(c1)CCCC2
• InChI: InChI=1S/C22H31N3O3/c26-21(24-10-12-28-13-11-24)8-7-17-4-3-9-25(16-17)22(27)19-14-18-5-1-2-6-20(18)23-15-19/h14-15,17H,1-13,16H2
• InChIKey: DKUVAVIYSOCJTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(morpholin-4-yl)-3-[1-(5,6,7,8-tetrahydroquinoline-3-carbonyl)piperidin-3-yl]propan-1-one
• IUPAC Traditional name: 1-(morpholin-4-yl)-3-[1-(5,6,7,8-tetrahydroquinoline-3-carbonyl)piperidin-3-yl]propan-1-one
• Synonyms: 3-{[3-(3-morpholin-4-yl-3-oxopropyl)piperidin-1-yl]carbonyl}-5,6,7,8-tetrahydroquinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.543091
• LogD (pH = 7.4): 1.5853117
• Log P: 1.5858796
• Molar Refractivity: 108.0024 cm^3
• Polarizability: 41.303673 Å^3
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.54
• LOG S: -3.33
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 4