N-ethyl-2-{4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperazin-1-yl}acetamide

• ChemBase ID: 521087
• Molecular Formular: C19H29N3O2
• Molecular Mass: 331.45246
• Monoisotopic Mass: 331.22597718
• SMILES: c1(c(cc2c(c1)CCC2)OC)CN1CCN(CC(=O)NCC)CC1
• Canonical SMILES: CCNC(=O)CN1CCN(CC1)Cc1cc2CCCc2cc1OC
• InChI: InChI=1S/C19H29N3O2/c1-3-20-19(23)14-22-9-7-21(8-10-22)13-17-11-15-5-4-6-16(15)12-18(17)24-2/h11-12H,3-10,13-14H2,1-2H3,(H,20,23)
• InChIKey: UTUDRWVKLCSMTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-2-{4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperazin-1-yl}acetamide
• IUPAC Traditional name: N-ethyl-2-{4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperazin-1-yl}acetamide
• Synonyms: N-ethyl-2-{4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-piperazinyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.436294
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.14852452
• LogD (pH = 7.4): 1.6457074
• Log P: 1.8633012
• Molar Refractivity: 97.5473 cm^3
• Polarizability: 37.588577 Å^3
• Polar Surface Area: 44.81 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.21
• LOG S: -3.5
• Polar Surface Area: 44.81 Å^2
• Rotatable Bonds: 6