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

• ChemBase ID: 767636
• Molecular Formular: C25H32N4O2
• Molecular Mass: 420.54718
• Monoisotopic Mass: 420.25252628
• SMILES: N1(C(=O)NCC1)c1cc(C(=O)NC2CN(CCCc3ccccc3)CCC2)ccc1C
• Canonical SMILES: O=C1NCCN1c1cc(ccc1C)C(=O)NC1CCCN(C1)CCCc1ccccc1
• InChI: InChI=1S/C25H32N4O2/c1-19-11-12-21(17-23(19)29-16-13-26-25(29)31)24(30)27-22-10-6-15-28(18-22)14-5-9-20-7-3-2-4-8-20/h2-4,7-8,11-12,17,22H,5-6,9-10,13-16,18H2,1H3,(H,26,31)(H,27,30)
• InChIKey: SUYVXNGDZUXXKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.888658
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.43026802
• LogD (pH = 7.4): 2.177667
• Log P: 3.3232777
• Molar Refractivity: 123.8565 cm^3
• Polarizability: 47.099426 Å^3
• Polar Surface Area: 64.68 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.57
• LOG S: -5.92
• Polar Surface Area: 64.68 Å^2
• Rotatable Bonds: 7