N-cyclopentyl-1-[1-(furan-2-ylmethyl)piperidin-4-yl]-1H-1,2,3-triazole-4-carboxamide

• ChemBase ID: 856209
• Molecular Formular: C18H25N5O2
• Molecular Mass: 343.4234
• Monoisotopic Mass: 343.20082507
• SMILES: c1(nnn(c1)C1CCN(Cc2occc2)CC1)C(=O)NC1CCCC1
• Canonical SMILES: O=C(c1nnn(c1)C1CCN(CC1)Cc1ccco1)NC1CCCC1
• InChI: InChI=1S/C18H25N5O2/c24-18(19-14-4-1-2-5-14)17-13-23(21-20-17)15-7-9-22(10-8-15)12-16-6-3-11-25-16/h3,6,11,13-15H,1-2,4-5,7-10,12H2,(H,19,24)
• InChIKey: RSWAQUQDAUQXDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-1-[1-(furan-2-ylmethyl)piperidin-4-yl]-1H-1,2,3-triazole-4-carboxamide
• IUPAC Traditional name: N-cyclopentyl-1-[1-(furan-2-ylmethyl)piperidin-4-yl]-1,2,3-triazole-4-carboxamide
• Synonyms: N-cyclopentyl-1-[1-(2-furylmethyl)-4-piperidinyl]-1H-1,2,3-triazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.836236
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.8727618
• LogD (pH = 7.4): 0.8964953
• Log P: 1.6466244
• Molar Refractivity: 105.7893 cm^3
• Polarizability: 35.83547 Å^3
• Polar Surface Area: 76.19 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.8
• LOG S: -3.88
• Polar Surface Area: 76.19 Å^2
• Rotatable Bonds: 5