N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide

• ChemBase ID: 579492
• Molecular Formular: C24H28N2O3
• Molecular Mass: 392.49072
• Monoisotopic Mass: 392.20999277
• SMILES: C(=O)(N(C1CN(C2Cc3c(C2)cccc3)CCC1)C)c1cc2c(OCCO2)cc1
• Canonical SMILES: CN(C(=O)c1ccc2c(c1)OCCO2)C1CCCN(C1)C1Cc2c(C1)cccc2
• InChI: InChI=1S/C24H28N2O3/c1-25(24(27)19-8-9-22-23(15-19)29-12-11-28-22)20-7-4-10-26(16-20)21-13-17-5-2-3-6-18(17)14-21/h2-3,5-6,8-9,15,20-21H,4,7,10-14,16H2,1H3
• InChIKey: APHCKWCRCJNKHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
• IUPAC Traditional name: N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
• Synonyms: N-[1-(2,3-dihydro-1H-inden-2-yl)-3-piperidinyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.3135928
• LogD (pH = 7.4): 1.9992799
• Log P: 3.3813698
• Molar Refractivity: 113.4649 cm^3
• Polarizability: 43.54701 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.74
• LOG S: -4.08
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 3