1-[1-(furan-2-ylmethyl)piperidine-4-carbonyl]-3-(1-methyl-1H-imidazol-2-yl)piperidine

• ChemBase ID: 617889
• Molecular Formular: C20H28N4O2
• Molecular Mass: 356.46192
• Monoisotopic Mass: 356.22122616
• SMILES: c1(C2CN(C(=O)C3CCN(Cc4occc4)CC3)CCC2)n(ccn1)C
• Canonical SMILES: O=C(N1CCCC(C1)c1nccn1C)C1CCN(CC1)Cc1ccco1
• InChI: InChI=1S/C20H28N4O2/c1-22-12-8-21-19(22)17-4-2-9-24(14-17)20(25)16-6-10-23(11-7-16)15-18-5-3-13-26-18/h3,5,8,12-13,16-17H,2,4,6-7,9-11,14-15H2,1H3
• InChIKey: IYPDZWSTJDGFPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-(furan-2-ylmethyl)piperidine-4-carbonyl]-3-(1-methyl-1H-imidazol-2-yl)piperidine
• IUPAC Traditional name: 1-[1-(furan-2-ylmethyl)piperidine-4-carbonyl]-3-(1-methylimidazol-2-yl)piperidine
• Synonyms: 1-{[1-(2-furylmethyl)-4-piperidinyl]carbonyl}-3-(1-methyl-1H-imidazol-2-yl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.0092843
• LogD (pH = 7.4): 0.416091
• Log P: 1.3422898
• Molar Refractivity: 100.9235 cm^3
• Polarizability: 38.738815 Å^3
• Polar Surface Area: 54.51 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.1
• LOG S: -2.74
• Polar Surface Area: 54.51 Å^2
• Rotatable Bonds: 4