3-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-N-(furan-2-ylmethyl)piperidine-1-carboxamide

• ChemBase ID: 738531
• Molecular Formular: C18H24N4O2
• Molecular Mass: 328.40876
• Monoisotopic Mass: 328.18992603
• SMILES: c1(n(CC2CC2)ccn1)C1CN(C(=O)NCc2occc2)CCC1
• Canonical SMILES: O=C(N1CCCC(C1)c1nccn1CC1CC1)NCc1ccco1
• InChI: InChI=1S/C18H24N4O2/c23-18(20-11-16-4-2-10-24-16)22-8-1-3-15(13-22)17-19-7-9-21(17)12-14-5-6-14/h2,4,7,9-10,14-15H,1,3,5-6,8,11-13H2,(H,20,23)
• InChIKey: WDSQQZWKVBUSLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-N-(furan-2-ylmethyl)piperidine-1-carboxamide
• IUPAC Traditional name: 3-[1-(cyclopropylmethyl)imidazol-2-yl]-N-(furan-2-ylmethyl)piperidine-1-carboxamide
• Synonyms: 3-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-N-(2-furylmethyl)-1-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.597944
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.8597415
• LogD (pH = 7.4): 1.4975892
• Log P: 1.5263718
• Molar Refractivity: 90.7126 cm^3
• Polarizability: 34.67877 Å^3
• Polar Surface Area: 63.3 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.5
• LOG S: -2.88
• Polar Surface Area: 63.3 Å^2
• Rotatable Bonds: 5