4-(piperidine-1-carbonyl)-1-[5-(1H-pyrazol-1-ylmethyl)furan-2-carbonyl]piperidine

• ChemBase ID: 579231
• Molecular Formular: C20H26N4O3
• Molecular Mass: 370.44544
• Monoisotopic Mass: 370.20049071
• SMILES: c1(C(=O)N2CCC(C(=O)N3CCCCC3)CC2)oc(cc1)Cn1nccc1
• Canonical SMILES: O=C(N1CCCCC1)C1CCN(CC1)C(=O)c1ccc(o1)Cn1cccn1
• InChI: InChI=1S/C20H26N4O3/c25-19(22-10-2-1-3-11-22)16-7-13-23(14-8-16)20(26)18-6-5-17(27-18)15-24-12-4-9-21-24/h4-6,9,12,16H,1-3,7-8,10-11,13-15H2
• InChIKey: WKLGUPLMUFBEMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(piperidine-1-carbonyl)-1-[5-(1H-pyrazol-1-ylmethyl)furan-2-carbonyl]piperidine
• IUPAC Traditional name: 4-(piperidine-1-carbonyl)-1-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]piperidine
• Synonyms: 4-(1-piperidinylcarbonyl)-1-[5-(1H-pyrazol-1-ylmethyl)-2-furoyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.96758664
• LogD (pH = 7.4): 0.967704
• Log P: 0.9677055
• Molar Refractivity: 112.8537 cm^3
• Polarizability: 38.247326 Å^3
• Polar Surface Area: 71.58 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: 0.97
• LOG S: -2.73
• Polar Surface Area: 71.58 Å^2
• Rotatable Bonds: 4