N-[1-(morpholine-4-carbonyl)piperidin-4-yl]-2-[2-(propan-2-yl)-1H-imidazol-1-yl]propanamide

• ChemBase ID: 501808
• Molecular Formular: C19H31N5O3
• Molecular Mass: 377.48114
• Monoisotopic Mass: 377.24268988
• SMILES: n1(c(ncc1)C(C)C)C(C(=O)NC1CCN(C(=O)N2CCOCC2)CC1)C
• Canonical SMILES: CC(n1ccnc1C(C)C)C(=O)NC1CCN(CC1)C(=O)N1CCOCC1
• InChI: InChI=1S/C19H31N5O3/c1-14(2)17-20-6-9-24(17)15(3)18(25)21-16-4-7-22(8-5-16)19(26)23-10-12-27-13-11-23/h6,9,14-16H,4-5,7-8,10-13H2,1-3H3,(H,21,25)
• InChIKey: MBSOLOSDYPMTHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.253466
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.8931742
• LogD (pH = 7.4): -0.07509881
• Log P: 0.057526328
• Molar Refractivity: 102.1159 cm^3
• Polarizability: 39.36271 Å^3
• Polar Surface Area: 79.7 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.11
• LOG S: -3.17
• Polar Surface Area: 79.7 Å^2
• Rotatable Bonds: 4