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

• ChemBase ID: 748029
• Molecular Formular: C19H34N4O
• Molecular Mass: 334.49946
• Monoisotopic Mass: 334.27326173
• SMILES: c1(n(ccn1)CCCNC(=O)CC1CCN(CC1)C(C)C)C(C)C
• Canonical SMILES: O=C(CC1CCN(CC1)C(C)C)NCCCn1ccnc1C(C)C
• InChI: InChI=1S/C19H34N4O/c1-15(2)19-21-9-13-23(19)10-5-8-20-18(24)14-17-6-11-22(12-7-17)16(3)4/h9,13,15-17H,5-8,10-12,14H2,1-4H3,(H,20,24)
• InChIKey: SGTNGUDNULIVHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{3-[2-(propan-2-yl)-1H-imidazol-1-yl]propyl}-2-[1-(propan-2-yl)piperidin-4-yl]acetamide
• IUPAC Traditional name: N-[3-(2-isopropylimidazol-1-yl)propyl]-2-(1-isopropylpiperidin-4-yl)acetamide
• Synonyms: N-[3-(2-isopropyl-1H-imidazol-1-yl)propyl]-2-(1-isopropyl-4-piperidinyl)acetamide

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true
• Acid pKa: 16.135248
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.3307006
• LogD (pH = 7.4): -0.1072765
• Log P: 1.9754715
• Molar Refractivity: 99.2794 cm^3
• Polarizability: 38.535366 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 8
• H Acceptors: 3
• H Donor: 1
• Log P: 1.75
• LOG S: -3.13