4-methoxy-N-[2-methyl-2-(morpholin-4-yl)propyl]-3-{[1-(propan-2-yl)piperidin-4-yl]oxy}benzamide

• ChemBase ID: 441629
• Molecular Formular: C24H39N3O4
• Molecular Mass: 433.58416
• Monoisotopic Mass: 433.29405674
• SMILES: N1(CCC(Oc2cc(C(=O)NCC(N3CCOCC3)(C)C)ccc2OC)CC1)C(C)C
• Canonical SMILES: COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NCC(N1CCOCC1)(C)C
• InChI: InChI=1S/C24H39N3O4/c1-18(2)26-10-8-20(9-11-26)31-22-16-19(6-7-21(22)29-5)23(28)25-17-24(3,4)27-12-14-30-15-13-27/h6-7,16,18,20H,8-15,17H2,1-5H3,(H,25,28)
• InChIKey: HXMLKLNKBDTMQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-N-[2-methyl-2-(morpholin-4-yl)propyl]-3-{[1-(propan-2-yl)piperidin-4-yl]oxy}benzamide
• IUPAC Traditional name: 3-[(1-isopropylpiperidin-4-yl)oxy]-4-methoxy-N-[2-methyl-2-(morpholin-4-yl)propyl]benzamide
• Synonyms: 3-[(1-isopropyl-4-piperidinyl)oxy]-4-methoxy-N-[2-methyl-2-(4-morpholinyl)propyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.68518
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -2.2484543
• LogD (pH = 7.4): 0.4094438
• Log P: 2.0297046
• Molar Refractivity: 123.7286 cm^3
• Polarizability: 48.10921 Å^3
• Polar Surface Area: 63.27 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.57
• LOG S: -2.46
• Polar Surface Area: 63.27 Å^2
• Rotatable Bonds: 6