N-cyclopentyl-4-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]piperidine-1-carboxamide

• ChemBase ID: 527410
• Molecular Formular: C15H25N5O2
• Molecular Mass: 307.3913
• Monoisotopic Mass: 307.20082507
• SMILES: n1n(cc(n1)COC)C1CCN(C(=O)NC2CCCC2)CC1
• Canonical SMILES: COCc1nnn(c1)C1CCN(CC1)C(=O)NC1CCCC1
• InChI: InChI=1S/C15H25N5O2/c1-22-11-13-10-20(18-17-13)14-6-8-19(9-7-14)15(21)16-12-4-2-3-5-12/h10,12,14H,2-9,11H2,1H3,(H,16,21)
• InChIKey: UPAPJASFXWPHNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-4-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]piperidine-1-carboxamide
• IUPAC Traditional name: N-cyclopentyl-4-[4-(methoxymethyl)-1,2,3-triazol-1-yl]piperidine-1-carboxamide
• Synonyms: N-cyclopentyl-4-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]-1-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.839006
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.4760098
• LogD (pH = 7.4): 0.47601148
• Log P: 0.4760115
• Molar Refractivity: 94.0722 cm^3
• Polarizability: 31.819191 Å^3
• Polar Surface Area: 72.28 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.18
• LOG S: -2.9
• Polar Surface Area: 72.28 Å^2
• Rotatable Bonds: 4