N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamide

• ChemBase ID: 363400
• Molecular Formular: C24H27N3O3
• Molecular Mass: 405.48948
• Monoisotopic Mass: 405.20524174
• SMILES: n1(c(=O)oc2c1cccc2)CC(=O)N(C1CN(C2Cc3c(C2)cccc3)CCC1)C
• Canonical SMILES: O=C(N(C1CCCN(C1)C1Cc2c(C1)cccc2)C)Cn1c(=O)oc2c1cccc2
• InChI: InChI=1S/C24H27N3O3/c1-25(23(28)16-27-21-10-4-5-11-22(21)30-24(27)29)19-9-6-12-26(15-19)20-13-17-7-2-3-8-18(17)14-20/h2-5,7-8,10-11,19-20H,6,9,12-16H2,1H3
• InChIKey: HZQPILCBMSMGPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamide
• IUPAC Traditional name: N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
• Synonyms: N-[1-(2,3-dihydro-1H-inden-2-yl)-3-piperidinyl]-N-methyl-2-(2-oxo-1,3-benzoxazol-3(2H)-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.181246
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.24494292
• LogD (pH = 7.4): 1.3860068
• Log P: 2.9110844
• Molar Refractivity: 114.658 cm^3
• Polarizability: 44.277996 Å^3
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.81
• LOG S: -3.09
• Polar Surface Area: 58.69 Å^2
• Rotatable Bonds: 4