N-methyl-3-{1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl}-N-[2-(pyridin-2-yl)ethyl]propanamide

• ChemBase ID: 382431
• Molecular Formular: C21H30N4O4
• Molecular Mass: 402.4873
• Monoisotopic Mass: 402.22670546
• SMILES: C1(=O)N(CC(=O)N2CC(CCC(=O)N(CCc3ncccc3)C)CCC2)CCO1
• Canonical SMILES: O=C(N(CCc1ccccn1)C)CCC1CCCN(C1)C(=O)CN1CCOC1=O
• InChI: InChI=1S/C21H30N4O4/c1-23(12-9-18-6-2-3-10-22-18)19(26)8-7-17-5-4-11-24(15-17)20(27)16-25-13-14-29-21(25)28/h2-3,6,10,17H,4-5,7-9,11-16H2,1H3
• InChIKey: HXIHPJBMTVBCAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-3-{1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl}-N-[2-(pyridin-2-yl)ethyl]propanamide
• IUPAC Traditional name: N-methyl-3-{1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl}-N-[2-(pyridin-2-yl)ethyl]propanamide
• Synonyms: N-methyl-3-{1-[(2-oxo-1,3-oxazolidin-3-yl)acetyl]-3-piperidinyl}-N-[2-(2-pyridinyl)ethyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.385876
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.18917863
• LogD (pH = 7.4): 0.23256773
• Log P: 0.23315218
• Molar Refractivity: 107.3436 cm^3
• Polarizability: 41.7999 Å^3
• Polar Surface Area: 83.05 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.11
• LOG S: -2.1
• Polar Surface Area: 83.05 Å^2
• Rotatable Bonds: 8