N,4-dimethyl-3-(2-oxoimidazolidin-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide

• ChemBase ID: 692898
• Molecular Formular: C25H32N4O2
• Molecular Mass: 420.54718
• Monoisotopic Mass: 420.25252628
• SMILES: N1(C(=O)NCC1)c1cc(C(=O)N(C2CN(CCc3ccccc3)CCC2)C)ccc1C
• Canonical SMILES: O=C1NCCN1c1cc(ccc1C)C(=O)N(C1CCCN(C1)CCc1ccccc1)C
• InChI: InChI=1S/C25H32N4O2/c1-19-10-11-21(17-23(19)29-16-13-26-25(29)31)24(30)27(2)22-9-6-14-28(18-22)15-12-20-7-4-3-5-8-20/h3-5,7-8,10-11,17,22H,6,9,12-16,18H2,1-2H3,(H,26,31)
• InChIKey: VCBRDUDKKNSQMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,4-dimethyl-3-(2-oxoimidazolidin-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide
• IUPAC Traditional name: N,4-dimethyl-3-(2-oxoimidazolidin-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide
• Synonyms: N,4-dimethyl-3-(2-oxo-1-imidazolidinyl)-N-[1-(2-phenylethyl)-3-piperidinyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.584643
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.2197337
• LogD (pH = 7.4): 1.9694339
• Log P: 3.102385
• Molar Refractivity: 124.1522 cm^3
• Polarizability: 47.09846 Å^3
• Polar Surface Area: 55.89 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.38
• LOG S: -5.44
• Polar Surface Area: 55.89 Å^2
• Rotatable Bonds: 6