1-[4-(1-butyl-1H-imidazol-2-yl)piperidin-1-yl]-2-(morpholin-4-yl)butan-1-one

• ChemBase ID: 571189
• Molecular Formular: C20H34N4O2
• Molecular Mass: 362.50956
• Monoisotopic Mass: 362.26817635
• SMILES: C(=O)(N1CCC(c2n(ccn2)CCCC)CC1)C(N1CCOCC1)CC
• Canonical SMILES: CCCCn1ccnc1C1CCN(CC1)C(=O)C(N1CCOCC1)CC
• InChI: InChI=1S/C20H34N4O2/c1-3-5-9-23-12-8-21-19(23)17-6-10-24(11-7-17)20(25)18(4-2)22-13-15-26-16-14-22/h8,12,17-18H,3-7,9-11,13-16H2,1-2H3
• InChIKey: QKJIRIWEDXPPKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(1-butyl-1H-imidazol-2-yl)piperidin-1-yl]-2-(morpholin-4-yl)butan-1-one
• IUPAC Traditional name: 1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-2-(morpholin-4-yl)butan-1-one
• Synonyms: 4-(1-{[4-(1-butyl-1H-imidazol-2-yl)-1-piperidinyl]carbonyl}propyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.41505736
• LogD (pH = 7.4): 1.9354659
• Log P: 2.0032206
• Molar Refractivity: 103.7427 cm^3
• Polarizability: 40.338005 Å^3
• Polar Surface Area: 50.6 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.27
• LOG S: -3.78
• Polar Surface Area: 50.6 Å^2
• Rotatable Bonds: 7