N-(1-cycloheptylpiperidin-3-yl)-3-(2-oxoimidazolidin-1-yl)benzamide

• ChemBase ID: 525164
• Molecular Formular: C22H32N4O2
• Molecular Mass: 384.51508
• Monoisotopic Mass: 384.25252628
• SMILES: N1(C(=O)NCC1)c1cc(C(=O)NC2CN(C3CCCCCC3)CCC2)ccc1
• Canonical SMILES: O=C1NCCN1c1cccc(c1)C(=O)NC1CCCN(C1)C1CCCCCC1
• InChI: InChI=1S/C22H32N4O2/c27-21(17-7-5-11-20(15-17)26-14-12-23-22(26)28)24-18-8-6-13-25(16-18)19-9-3-1-2-4-10-19/h5,7,11,15,18-19H,1-4,6,8-10,12-14,16H2,(H,23,28)(H,24,27)
• InChIKey: HTOSMPJFVICXJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-cycloheptylpiperidin-3-yl)-3-(2-oxoimidazolidin-1-yl)benzamide
• IUPAC Traditional name: N-(1-cycloheptylpiperidin-3-yl)-3-(2-oxoimidazolidin-1-yl)benzamide
• Synonyms: N-(1-cycloheptyl-3-piperidinyl)-3-(2-oxo-1-imidazolidinyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.665164
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.74618703
• LogD (pH = 7.4): 0.64840776
• Log P: 2.5959926
• Molar Refractivity: 110.4619 cm^3
• Polarizability: 42.45427 Å^3
• Polar Surface Area: 64.68 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.1
• LOG S: -5.03
• Polar Surface Area: 64.68 Å^2
• Rotatable Bonds: 4