(3-{2-[1-(5-methoxyfuran-2-carbonyl)piperidin-4-yl]-1H-imidazol-1-yl}propyl)dimethylamine

• ChemBase ID: 495843
• Molecular Formular: C19H28N4O3
• Molecular Mass: 360.45062
• Monoisotopic Mass: 360.21614078
• SMILES: c1(C(=O)N2CCC(c3n(ccn3)CCCN(C)C)CC2)oc(cc1)OC
• Canonical SMILES: COc1ccc(o1)C(=O)N1CCC(CC1)c1nccn1CCCN(C)C
• InChI: InChI=1S/C19H28N4O3/c1-21(2)10-4-11-22-14-9-20-18(22)15-7-12-23(13-8-15)19(24)16-5-6-17(25-3)26-16/h5-6,9,14-15H,4,7-8,10-13H2,1-3H3
• InChIKey: VYNUKVLKNINQGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-{2-[1-(5-methoxyfuran-2-carbonyl)piperidin-4-yl]-1H-imidazol-1-yl}propyl)dimethylamine
• IUPAC Traditional name: (3-{2-[1-(5-methoxyfuran-2-carbonyl)piperidin-4-yl]imidazol-1-yl}propyl)dimethylamine
• Synonyms: (3-{2-[1-(5-methoxy-2-furoyl)-4-piperidinyl]-1H-imidazol-1-yl}propyl)dimethylamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.2572985
• LogD (pH = 7.4): -1.4319073
• Log P: 0.83968186
• Molar Refractivity: 100.0101 cm^3
• Polarizability: 38.117313 Å^3
• Polar Surface Area: 63.74 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.64
• LOG S: -3.23
• Polar Surface Area: 63.74 Å^2
• Rotatable Bonds: 7