N-benzyl-2-(3-methoxypiperidine-1-carbonyl)-N-methyl-2,3-dihydro-1H-inden-2-amine

• ChemBase ID: 494322
• Molecular Formular: C24H30N2O2
• Molecular Mass: 378.5072
• Monoisotopic Mass: 378.23072821
• SMILES: C1(C(=O)N2CC(OC)CCC2)(N(Cc2ccccc2)C)Cc2c(C1)cccc2
• Canonical SMILES: COC1CCCN(C1)C(=O)C1(Cc2c(C1)cccc2)N(Cc1ccccc1)C
• InChI: InChI=1S/C24H30N2O2/c1-25(17-19-9-4-3-5-10-19)24(15-20-11-6-7-12-21(20)16-24)23(27)26-14-8-13-22(18-26)28-2/h3-7,9-12,22H,8,13-18H2,1-2H3
• InChIKey: DYVHSASNZJAWCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-2-(3-methoxypiperidine-1-carbonyl)-N-methyl-2,3-dihydro-1H-inden-2-amine
• IUPAC Traditional name: N-benzyl-2-(3-methoxypiperidine-1-carbonyl)-N-methyl-1,3-dihydroinden-2-amine
• Synonyms: N-benzyl-2-[(3-methoxy-1-piperidinyl)carbonyl]-N-methyl-2-indanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1387513
• LogD (pH = 7.4): 2.912793
• Log P: 3.7925615
• Molar Refractivity: 112.9428 cm^3
• Polarizability: 44.003754 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.99
• LOG S: -2.35
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 4