4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-[3-(morpholin-4-yl)propyl]benzamide

• ChemBase ID: 425693
• Molecular Formular: C23H33N3O4
• Molecular Mass: 415.52582
• Monoisotopic Mass: 415.24710655
• SMILES: C(=O)(N1CCC(CC1)Oc1ccc(C(=O)NCCCN2CCOCC2)cc1)C1CC1
• Canonical SMILES: O=C(N1CCC(CC1)Oc1ccc(cc1)C(=O)NCCCN1CCOCC1)C1CC1
• InChI: InChI=1S/C23H33N3O4/c27-22(24-10-1-11-25-14-16-29-17-15-25)18-4-6-20(7-5-18)30-21-8-12-26(13-9-21)23(28)19-2-3-19/h4-7,19,21H,1-3,8-17H2,(H,24,27)
• InChIKey: MRNGZWFFLQHQGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-[3-(morpholin-4-yl)propyl]benzamide
• IUPAC Traditional name: 4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-[3-(morpholin-4-yl)propyl]benzamide
• Synonyms: 4-{[1-(cyclopropylcarbonyl)-4-piperidinyl]oxy}-N-[3-(4-morpholinyl)propyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.063691
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.7216074
• LogD (pH = 7.4): 0.63922197
• Log P: 0.78349143
• Molar Refractivity: 115.5768 cm^3
• Polarizability: 44.557335 Å^3
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.68
• LOG S: -3.15
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 8