N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(2-methoxyacetyl)piperidin-4-yl]propanamide

• ChemBase ID: 502994
• Molecular Formular: C18H33N3O3
• Molecular Mass: 339.47292
• Monoisotopic Mass: 339.25219193
• SMILES: N1(C(=O)COC)CCC(CC1)CCC(=O)NCC1N(CCC1)CC
• Canonical SMILES: COCC(=O)N1CCC(CC1)CCC(=O)NCC1CCCN1CC
• InChI: InChI=1S/C18H33N3O3/c1-3-20-10-4-5-16(20)13-19-17(22)7-6-15-8-11-21(12-9-15)18(23)14-24-2/h15-16H,3-14H2,1-2H3,(H,19,22)
• InChIKey: GALMLVHDFUHLMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(2-methoxyacetyl)piperidin-4-yl]propanamide
• IUPAC Traditional name: N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(2-methoxyacetyl)piperidin-4-yl]propanamide
• Synonyms: N-[(1-ethyl-2-pyrrolidinyl)methyl]-3-[1-(methoxyacetyl)-4-piperidinyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.904693
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.9066508
• LogD (pH = 7.4): -1.2467257
• Log P: 0.20697352
• Molar Refractivity: 94.9685 cm^3
• Polarizability: 37.071556 Å^3
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.83
• LOG S: -1.1
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 6