2-[2-(propan-2-yl)-1H-imidazol-1-yl]-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide

• ChemBase ID: 603104
• Molecular Formular: C19H28N4OS
• Molecular Mass: 360.51682
• Monoisotopic Mass: 360.19838254
• SMILES: n1(c(ncc1)C(C)C)C(C(=O)NC1CCN(Cc2sccc2)CC1)C
• Canonical SMILES: O=C(C(n1ccnc1C(C)C)C)NC1CCN(CC1)Cc1cccs1
• InChI: InChI=1S/C19H28N4OS/c1-14(2)18-20-8-11-23(18)15(3)19(24)21-16-6-9-22(10-7-16)13-17-5-4-12-25-17/h4-5,8,11-12,14-16H,6-7,9-10,13H2,1-3H3,(H,21,24)
• InChIKey: UOWOTXJONGREKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(propan-2-yl)-1H-imidazol-1-yl]-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide
• IUPAC Traditional name: 2-(2-isopropylimidazol-1-yl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide
• Synonyms: 2-(2-isopropyl-1H-imidazol-1-yl)-N-[1-(2-thienylmethyl)-4-piperidinyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.286604
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.2564944
• LogD (pH = 7.4): 1.3121741
• Log P: 2.5726802
• Molar Refractivity: 101.8026 cm^3
• Polarizability: 39.412743 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.67
• LOG S: -3.25
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 6