1-(cyclohex-3-ene-1-carbonyl)-4-(4-cyclopentyl-1H-1,2,3-triazol-1-yl)piperidine

• ChemBase ID: 340063
• Molecular Formular: C19H28N4O
• Molecular Mass: 328.45182
• Monoisotopic Mass: 328.22631154
• SMILES: n1n(cc(n1)C1CCCC1)C1CCN(C(=O)C2CC=CCC2)CC1
• Canonical SMILES: O=C(N1CCC(CC1)n1nnc(c1)C1CCCC1)C1CCC=CC1
• InChI: InChI=1S/C19H28N4O/c24-19(16-8-2-1-3-9-16)22-12-10-17(11-13-22)23-14-18(20-21-23)15-6-4-5-7-15/h1-2,14-17H,3-13H2
• InChIKey: SCLPQJQGUUFHHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclohex-3-ene-1-carbonyl)-4-(4-cyclopentyl-1H-1,2,3-triazol-1-yl)piperidine
• IUPAC Traditional name: 1-(cyclohex-3-ene-1-carbonyl)-4-(4-cyclopentyl-1,2,3-triazol-1-yl)piperidine
• Synonyms: 1-(cyclohex-3-en-1-ylcarbonyl)-4-(4-cyclopentyl-1H-1,2,3-triazol-1-yl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.8258097
• LogD (pH = 7.4): 2.8258147
• Log P: 2.8258147
• Molar Refractivity: 106.5522 cm^3
• Polarizability: 36.269413 Å^3
• Polar Surface Area: 51.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.51
• LOG S: -2.88
• Polar Surface Area: 51.02 Å^2
• Rotatable Bonds: 3