1-(3-{4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]piperidin-1-yl}phenyl)imidazolidin-2-one

• ChemBase ID: 397748
• Molecular Formular: C23H37N5O
• Molecular Mass: 399.57278
• Monoisotopic Mass: 399.29981083
• SMILES: N1(C(=O)NCC1)c1cc(N2CCC(NC3CC(NC(C3)(C)C)(C)C)CC2)ccc1
• Canonical SMILES: O=C1NCCN1c1cccc(c1)N1CCC(CC1)NC1CC(C)(C)NC(C1)(C)C
• InChI: InChI=1S/C23H37N5O/c1-22(2)15-18(16-23(3,4)26-22)25-17-8-11-27(12-9-17)19-6-5-7-20(14-19)28-13-10-24-21(28)29/h5-7,14,17-18,25-26H,8-13,15-16H2,1-4H3,(H,24,29)
• InChIKey: BXSTWYHNODWUQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-{4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]piperidin-1-yl}phenyl)imidazolidin-2-one
• IUPAC Traditional name: 1-(3-{4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]piperidin-1-yl}phenyl)imidazolidin-2-one
• Synonyms: 1-(3-{4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]piperidin-1-yl}phenyl)imidazolidin-2-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.5850935
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -4.51613
• LogD (pH = 7.4): -2.7062998
• Log P: 1.5834914
• Molar Refractivity: 118.4967 cm^3
• Polarizability: 45.97613 Å^3
• Polar Surface Area: 59.64 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 1.89
• LOG S: -3.73
• Polar Surface Area: 59.64 Å^2
• Rotatable Bonds: 4