N-{[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl}-N-[3-(dimethylamino)propyl]-2-methylpropanamide

• ChemBase ID: 857612
• Molecular Formular: C24H39N3O
• Molecular Mass: 385.58596
• Monoisotopic Mass: 385.30931288
• SMILES: C(=O)(N(CC1CCN(C2Cc3c(C2)cccc3)CC1)CCCN(C)C)C(C)C
• Canonical SMILES: CC(C(=O)N(CC1CCN(CC1)C1Cc2c(C1)cccc2)CCCN(C)C)C
• InChI: InChI=1S/C24H39N3O/c1-19(2)24(28)27(13-7-12-25(3)4)18-20-10-14-26(15-11-20)23-16-21-8-5-6-9-22(21)17-23/h5-6,8-9,19-20,23H,7,10-18H2,1-4H3
• InChIKey: XLSYCYJNBWMQQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl}-N-[3-(dimethylamino)propyl]-2-methylpropanamide
• IUPAC Traditional name: N-{[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl}-N-[3-(dimethylamino)propyl]-2-methylpropanamide
• Synonyms: N-{[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl}-N-[3-(dimethylamino)propyl]-2-methylpropanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -3.375512
• LogD (pH = 7.4): -0.6779843
• Log P: 3.339387
• Molar Refractivity: 118.9617 cm^3
• Polarizability: 46.153835 Å^3
• Polar Surface Area: 26.79 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.64
• LOG S: -5.12
• Polar Surface Area: 26.79 Å^2
• Rotatable Bonds: 8