2-(2-{1-[4-(piperidin-1-yl)benzoyl]piperidin-3-yl}-1H-imidazol-1-yl)acetamide

• ChemBase ID: 779918
• Molecular Formular: C22H29N5O2
• Molecular Mass: 395.49796
• Monoisotopic Mass: 395.23212519
• SMILES: c1(n(CC(=O)N)ccn1)C1CN(C(=O)c2ccc(N3CCCCC3)cc2)CCC1
• Canonical SMILES: NC(=O)Cn1ccnc1C1CCCN(C1)C(=O)c1ccc(cc1)N1CCCCC1
• InChI: InChI=1S/C22H29N5O2/c23-20(28)16-26-14-10-24-21(26)18-5-4-13-27(15-18)22(29)17-6-8-19(9-7-17)25-11-2-1-3-12-25/h6-10,14,18H,1-5,11-13,15-16H2,(H2,23,28)
• InChIKey: LSZYTODJJUICQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-{1-[4-(piperidin-1-yl)benzoyl]piperidin-3-yl}-1H-imidazol-1-yl)acetamide
• IUPAC Traditional name: 2-(2-{1-[4-(piperidin-1-yl)benzoyl]piperidin-3-yl}imidazol-1-yl)acetamide
• Synonyms: 2-{2-[1-(4-piperidin-1-ylbenzoyl)piperidin-3-yl]-1H-imidazol-1-yl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.513831
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.9102672
• LogD (pH = 7.4): 1.5297531
• Log P: 1.5545694
• Molar Refractivity: 113.3416 cm^3
• Polarizability: 42.562023 Å^3
• Polar Surface Area: 84.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.38
• LOG S: -2.41
• Polar Surface Area: 84.46 Å^2
• Rotatable Bonds: 5