N-[2-(6-hydroxypyrimidin-4-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide

• ChemBase ID: 563627
• Molecular Formular: C15H24N4O2
• Molecular Mass: 292.37666
• Monoisotopic Mass: 292.18992603
• SMILES: n1c(cc(nc1)CCNC(=O)CCC1CN(CCC1)C)O
• Canonical SMILES: CN1CCCC(C1)CCC(=O)NCCc1ncnc(c1)O
• InChI: InChI=1S/C15H24N4O2/c1-19-8-2-3-12(10-19)4-5-14(20)16-7-6-13-9-15(21)18-11-17-13/h9,11-12H,2-8,10H2,1H3,(H,16,20)(H,17,18,21)
• InChIKey: UXYUZYJWBNRDSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(6-hydroxypyrimidin-4-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide
• IUPAC Traditional name: N-[2-(6-hydroxypyrimidin-4-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide
• Synonyms: N-[2-(6-hydroxy-4-pyrimidinyl)ethyl]-3-(1-methyl-3-piperidinyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.757287
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -2.4412832
• LogD (pH = 7.4): -0.89159465
• Log P: 0.801477
• Molar Refractivity: 81.9365 cm^3
• Polarizability: 31.4175 Å^3
• Polar Surface Area: 78.35 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -0.99
• LOG S: -1.8
• Polar Surface Area: 78.35 Å^2
• Rotatable Bonds: 6