N-methyl-3-(2-oxoimidazolidin-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide

• ChemBase ID: 541095
• Molecular Formular: C24H30N4O2
• Molecular Mass: 406.5206
• Monoisotopic Mass: 406.23687622
• SMILES: N1(C(=O)NCC1)c1cc(C(=O)N(C2CN(CCc3ccccc3)CCC2)C)ccc1
• Canonical SMILES: O=C1NCCN1c1cccc(c1)C(=O)N(C1CCCN(C1)CCc1ccccc1)C
• InChI: InChI=1S/C24H30N4O2/c1-26(22-11-6-14-27(18-22)15-12-19-7-3-2-4-8-19)23(29)20-9-5-10-21(17-20)28-16-13-25-24(28)30/h2-5,7-10,17,22H,6,11-16,18H2,1H3,(H,25,30)
• InChIKey: VWTRQHCBGFIRLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.585186
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.28063536
• LogD (pH = 7.4): 1.4717909
• Log P: 2.5889637
• Molar Refractivity: 119.111 cm^3
• Polarizability: 45.33301 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: 2.88
• LOG S: -5.08
• Polar Surface Area: 55.89 Å^2
• Rotatable Bonds: 6