N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(1-propylpiperidin-4-yl)acetamide

• ChemBase ID: 513244
• Molecular Formular: C18H30N4O
• Molecular Mass: 318.457
• Monoisotopic Mass: 318.2419616
• SMILES: c1(nc(cc(n1)C)C)CCNC(=O)CC1CCN(CC1)CCC
• Canonical SMILES: CCCN1CCC(CC1)CC(=O)NCCc1nc(C)cc(n1)C
• InChI: InChI=1S/C18H30N4O/c1-4-9-22-10-6-16(7-11-22)13-18(23)19-8-5-17-20-14(2)12-15(3)21-17/h12,16H,4-11,13H2,1-3H3,(H,19,23)
• InChIKey: CDLHRUILARVIRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(1-propylpiperidin-4-yl)acetamide
• IUPAC Traditional name: N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(1-propylpiperidin-4-yl)acetamide
• Synonyms: N-[2-(4,6-dimethyl-2-pyrimidinyl)ethyl]-2-(1-propyl-4-piperidinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.747138
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.8594798
• LogD (pH = 7.4): -0.37222734
• Log P: 1.5734993
• Molar Refractivity: 93.6066 cm^3
• Polarizability: 36.16922 Å^3
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.84
• LOG S: -3.09
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 7