N1,N1-dimethyl-N4-(pyridin-3-yl)piperidine-1,4-dicarboxamide

• ChemBase ID: 343058
• Molecular Formular: C14H20N4O2
• Molecular Mass: 276.3342
• Monoisotopic Mass: 276.1586259
• SMILES: C(=O)(N1CCC(C(=O)Nc2cnccc2)CC1)N(C)C
• Canonical SMILES: O=C(C1CCN(CC1)C(=O)N(C)C)Nc1cccnc1
• InChI: InChI=1S/C14H20N4O2/c1-17(2)14(20)18-8-5-11(6-9-18)13(19)16-12-4-3-7-15-10-12/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,16,19)
• InChIKey: KKHFWOJLQKDHFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N1,N1-dimethyl-N4-(pyridin-3-yl)piperidine-1,4-dicarboxamide
• IUPAC Traditional name: N1,N1-dimethyl-N4-(pyridin-3-yl)piperidine-1,4-dicarboxamide
• Synonyms: N~1~,N~1~-dimethyl-N~4~-3-pyridinyl-1,4-piperidinedicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.594301
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.2079397
• LogD (pH = 7.4): -0.1797664
• Log P: -0.17938948
• Molar Refractivity: 77.2317 cm^3
• Polarizability: 28.840683 Å^3
• Polar Surface Area: 65.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.42
• LOG S: -1.57
• Polar Surface Area: 65.54 Å^2
• Rotatable Bonds: 2