N-{1-[3-(6-methyl-2-oxo-1,2-dihydropyridin-1-yl)propanoyl]piperidin-4-yl}methanesulfonamide

• ChemBase ID: 686174
• Molecular Formular: C15H23N3O4S
• Molecular Mass: 341.42582
• Monoisotopic Mass: 341.14092723
• SMILES: S(=O)(=O)(NC1CCN(C(=O)CCn2c(=O)cccc2C)CC1)C
• Canonical SMILES: O=C(N1CCC(CC1)NS(=O)(=O)C)CCn1c(C)cccc1=O
• InChI: InChI=1S/C15H23N3O4S/c1-12-4-3-5-15(20)18(12)11-8-14(19)17-9-6-13(7-10-17)16-23(2,21)22/h3-5,13,16H,6-11H2,1-2H3
• InChIKey: IREVZOSEZSMHFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[3-(6-methyl-2-oxo-1,2-dihydropyridin-1-yl)propanoyl]piperidin-4-yl}methanesulfonamide
• IUPAC Traditional name: N-{1-[3-(2-methyl-6-oxopyridin-1-yl)propanoyl]piperidin-4-yl}methanesulfonamide
• Synonyms: N-{1-[3-(6-methyl-2-oxo-1(2H)-pyridinyl)propanoyl]-4-piperidinyl}methanesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.52429
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.676921
• LogD (pH = 7.4): -1.6769495
• Log P: -1.6769205
• Molar Refractivity: 89.5873 cm^3
• Polarizability: 34.221794 Å^3
• Polar Surface Area: 86.79 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.46
• LOG S: -2.61
• Polar Surface Area: 88.48 Å^2
• Rotatable Bonds: 4