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

• ChemBase ID: 341120
• Molecular Formular: C22H27N3O
• Molecular Mass: 349.46928
• Monoisotopic Mass: 349.2154125
• SMILES: C1(C(=O)N2CCNCC2)(N(Cc2ccccc2)C)Cc2c(C1)cccc2
• Canonical SMILES: CN(C1(Cc2c(C1)cccc2)C(=O)N1CCNCC1)Cc1ccccc1
• InChI: InChI=1S/C22H27N3O/c1-24(17-18-7-3-2-4-8-18)22(21(26)25-13-11-23-12-14-25)15-19-9-5-6-10-20(19)16-22/h2-10,23H,11-17H2,1H3
• InChIKey: GBNWNZLMKPXZEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-methyl-2-(piperazine-1-carbonyl)-2,3-dihydro-1H-inden-2-amine
• IUPAC Traditional name: N-benzyl-N-methyl-2-(piperazine-1-carbonyl)-1,3-dihydroinden-2-amine
• Synonyms: N-benzyl-N-methyl-2-(1-piperazinylcarbonyl)-2-indanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.090258
• LogD (pH = 7.4): 1.397709
• Log P: 2.8380442
• Molar Refractivity: 105.4435 cm^3
• Polarizability: 41.16883 Å^3
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.35
• LOG S: -4.61
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 4