N-cyclopropyl-4-(morpholin-4-yl)-N-({3-[2-(piperidin-1-yl)ethoxy]phenyl}methyl)benzamide

• ChemBase ID: 748138
• Molecular Formular: C28H37N3O3
• Molecular Mass: 463.61168
• Monoisotopic Mass: 463.28349206
• SMILES: N(C(=O)c1ccc(N2CCOCC2)cc1)(C1CC1)Cc1cc(OCCN2CCCCC2)ccc1
• Canonical SMILES: O=C(N(C1CC1)Cc1cccc(c1)OCCN1CCCCC1)c1ccc(cc1)N1CCOCC1
• InChI: InChI=1S/C28H37N3O3/c32-28(24-7-9-25(10-8-24)30-16-18-33-19-17-30)31(26-11-12-26)22-23-5-4-6-27(21-23)34-20-15-29-13-2-1-3-14-29/h4-10,21,26H,1-3,11-20,22H2
• InChIKey: MYXABPUGLCFFFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-4-(morpholin-4-yl)-N-({3-[2-(piperidin-1-yl)ethoxy]phenyl}methyl)benzamide
• IUPAC Traditional name: N-cyclopropyl-4-(morpholin-4-yl)-N-({3-[2-(piperidin-1-yl)ethoxy]phenyl}methyl)benzamide
• Synonyms: N-cyclopropyl-4-(4-morpholinyl)-N-{3-[2-(1-piperidinyl)ethoxy]benzyl}benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.94414335
• LogD (pH = 7.4): 2.6013193
• Log P: 4.0621586
• Molar Refractivity: 136.881 cm^3
• Polarizability: 52.22204 Å^3
• Polar Surface Area: 45.25 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.54
• LOG S: -4.05
• Polar Surface Area: 45.25 Å^2
• Rotatable Bonds: 9