N-cyclopropyl-3-{1-[2-(2-phenyl-1H-imidazol-1-yl)acetyl]piperidin-4-yl}propanamide

• ChemBase ID: 327025
• Molecular Formular: C22H28N4O2
• Molecular Mass: 380.48332
• Monoisotopic Mass: 380.22122616
• SMILES: n1(c(ncc1)c1ccccc1)CC(=O)N1CCC(CC1)CCC(=O)NC1CC1
• Canonical SMILES: O=C(N1CCC(CC1)CCC(=O)NC1CC1)Cn1ccnc1c1ccccc1
• InChI: InChI=1S/C22H28N4O2/c27-20(24-19-7-8-19)9-6-17-10-13-25(14-11-17)21(28)16-26-15-12-23-22(26)18-4-2-1-3-5-18/h1-5,12,15,17,19H,6-11,13-14,16H2,(H,24,27)
• InChIKey: JIVBMHUSWRYFKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-3-{1-[2-(2-phenyl-1H-imidazol-1-yl)acetyl]piperidin-4-yl}propanamide
• IUPAC Traditional name: N-cyclopropyl-3-{1-[2-(2-phenylimidazol-1-yl)acetyl]piperidin-4-yl}propanamide
• Synonyms: N-cyclopropyl-3-{1-[(2-phenyl-1H-imidazol-1-yl)acetyl]-4-piperidinyl}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.668572
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2478362
• LogD (pH = 7.4): 1.7915097
• Log P: 1.8101937
• Molar Refractivity: 118.1994 cm^3
• Polarizability: 42.304424 Å^3
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.45
• LOG S: -5.14
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 7