N-[2-(1-methylpiperidin-3-yl)ethyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide

• ChemBase ID: 860109
• Molecular Formular: C15H27N3O
• Molecular Mass: 265.39438
• Monoisotopic Mass: 265.2154125
• SMILES: N1(CC(CCNC(=O)CC2=CCNCC2)CCC1)C
• Canonical SMILES: CN1CCCC(C1)CCNC(=O)CC1=CCNCC1
• InChI: InChI=1S/C15H27N3O/c1-18-10-2-3-14(12-18)6-9-17-15(19)11-13-4-7-16-8-5-13/h4,14,16H,2-3,5-12H2,1H3,(H,17,19)
• InChIKey: XCSBUFVTWQSZMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1-methylpiperidin-3-yl)ethyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide
• IUPAC Traditional name: N-[2-(1-methylpiperidin-3-yl)ethyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide
• Synonyms: N-[2-(1-methylpiperidin-3-yl)ethyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.226488
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -6.376157
• LogD (pH = 7.4): -3.9968348
• Log P: 0.16787063
• Molar Refractivity: 79.9354 cm^3
• Polarizability: 30.923046 Å^3
• Polar Surface Area: 44.37 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.15
• LOG S: -2.12
• Polar Surface Area: 44.37 Å^2
• Rotatable Bonds: 5