N,N-diethyl-1-(6-methoxypyrimidin-4-yl)piperidine-3-carboxamide

• ChemBase ID: 515239
• Molecular Formular: C15H24N4O2
• Molecular Mass: 292.37666
• Monoisotopic Mass: 292.18992603
• SMILES: N1(c2cc(ncn2)OC)CC(C(=O)N(CC)CC)CCC1
• Canonical SMILES: CCN(C(=O)C1CCCN(C1)c1ncnc(c1)OC)CC
• InChI: InChI=1S/C15H24N4O2/c1-4-18(5-2)15(20)12-7-6-8-19(10-12)13-9-14(21-3)17-11-16-13/h9,11-12H,4-8,10H2,1-3H3
• InChIKey: ZHTBEMOQMKHBBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethyl-1-(6-methoxypyrimidin-4-yl)piperidine-3-carboxamide
• IUPAC Traditional name: N,N-diethyl-1-(6-methoxypyrimidin-4-yl)piperidine-3-carboxamide
• Synonyms: N,N-diethyl-1-(6-methoxypyrimidin-4-yl)piperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.7026557
• LogD (pH = 7.4): 1.7711184
• Log P: 1.7720666
• Molar Refractivity: 83.5818 cm^3
• Polarizability: 31.106564 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.66
• LOG S: -3.6
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 5