N-methyl-3-(3-methylpiperidin-1-yl)-N-[2-(piperidin-1-yl)ethyl]propanamide

• ChemBase ID: 321804
• Molecular Formular: C17H33N3O
• Molecular Mass: 295.46342
• Monoisotopic Mass: 295.26236269
• SMILES: C(=O)(CCN1CC(CCC1)C)N(CCN1CCCCC1)C
• Canonical SMILES: CC1CCCN(C1)CCC(=O)N(CCN1CCCCC1)C
• InChI: InChI=1S/C17H33N3O/c1-16-7-6-11-20(15-16)12-8-17(21)18(2)13-14-19-9-4-3-5-10-19/h16H,3-15H2,1-2H3
• InChIKey: DNEYCJQEAASZOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-3-(3-methylpiperidin-1-yl)-N-[2-(piperidin-1-yl)ethyl]propanamide
• IUPAC Traditional name: N-methyl-3-(3-methylpiperidin-1-yl)-N-[2-(piperidin-1-yl)ethyl]propanamide
• Synonyms: N-methyl-3-(3-methyl-1-piperidinyl)-N-[2-(1-piperidinyl)ethyl]propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -4.736882
• LogD (pH = 7.4): -1.8813399
• Log P: 1.6299247
• Molar Refractivity: 89.1624 cm^3
• Polarizability: 34.849754 Å^3
• Polar Surface Area: 26.79 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.44
• LOG S: -0.57
• Polar Surface Area: 26.79 Å^2
• Rotatable Bonds: 6