N1,N1-dimethyl-N3-[3-(1H-1,2,3-triazol-1-yl)propyl]piperidine-1,3-dicarboxamide

• ChemBase ID: 629396
• Molecular Formular: C14H24N6O2
• Molecular Mass: 308.37936
• Monoisotopic Mass: 308.19607404
• SMILES: C(=O)(N1CC(C(=O)NCCCn2nncc2)CCC1)N(C)C
• Canonical SMILES: O=C(C1CCCN(C1)C(=O)N(C)C)NCCCn1nncc1
• InChI: InChI=1S/C14H24N6O2/c1-18(2)14(22)19-8-3-5-12(11-19)13(21)15-6-4-9-20-10-7-16-17-20/h7,10,12H,3-6,8-9,11H2,1-2H3,(H,15,21)
• InChIKey: YPCXNKPCYCSGLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N1,N1-dimethyl-N3-[3-(1H-1,2,3-triazol-1-yl)propyl]piperidine-1,3-dicarboxamide
• IUPAC Traditional name: N1,N1-dimethyl-N3-[3-(1,2,3-triazol-1-yl)propyl]piperidine-1,3-dicarboxamide
• Synonyms: N~1~,N~1~-dimethyl-N~3~-[3-(1H-1,2,3-triazol-1-yl)propyl]-1,3-piperidinedicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.472288
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.9147211
• LogD (pH = 7.4): -0.9147133
• Log P: -0.9147132
• Molar Refractivity: 93.891 cm^3
• Polarizability: 31.25134 Å^3
• Polar Surface Area: 83.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.62
• LOG S: -2.23
• Polar Surface Area: 83.36 Å^2
• Rotatable Bonds: 5