N-(2-{[2-(piperidin-1-yl)-2,3-dihydro-1H-inden-2-yl]formamido}ethyl)acetamide

• ChemBase ID: 622231
• Molecular Formular: C19H27N3O2
• Molecular Mass: 329.43658
• Monoisotopic Mass: 329.21032712
• SMILES: C1(N2CCCCC2)(Cc2c(C1)cccc2)C(=O)NCCNC(=O)C
• Canonical SMILES: O=C(C1(Cc2c(C1)cccc2)N1CCCCC1)NCCNC(=O)C
• InChI: InChI=1S/C19H27N3O2/c1-15(23)20-9-10-21-18(24)19(22-11-5-2-6-12-22)13-16-7-3-4-8-17(16)14-19/h3-4,7-8H,2,5-6,9-14H2,1H3,(H,20,23)(H,21,24)
• InChIKey: UJSTURQUQUMEDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-{[2-(piperidin-1-yl)-2,3-dihydro-1H-inden-2-yl]formamido}ethyl)acetamide
• IUPAC Traditional name: N-(2-{[2-(piperidin-1-yl)-1,3-dihydroinden-2-yl]formamido}ethyl)acetamide
• Synonyms: N-[2-(acetylamino)ethyl]-2-(1-piperidinyl)-2-indanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.397101
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.4424777
• LogD (pH = 7.4): 0.3276907
• Log P: 1.2980522
• Molar Refractivity: 94.7144 cm^3
• Polarizability: 36.74971 Å^3
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.93
• LOG S: -2.19
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 5