N-(2-hydroxyethyl)-N-methyl-2-(piperidin-1-yl)-2,3-dihydro-1H-indene-2-carboxamide

• ChemBase ID: 524809
• Molecular Formular: C18H26N2O2
• Molecular Mass: 302.41124
• Monoisotopic Mass: 302.19942808
• SMILES: C1(C(=O)N(CCO)C)(N2CCCCC2)Cc2c(C1)cccc2
• Canonical SMILES: OCCN(C(=O)C1(Cc2c(C1)cccc2)N1CCCCC1)C
• InChI: InChI=1S/C18H26N2O2/c1-19(11-12-21)17(22)18(20-9-5-2-6-10-20)13-15-7-3-4-8-16(15)14-18/h3-4,7-8,21H,2,5-6,9-14H2,1H3
• InChIKey: QQICUHOYMPZSDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-hydroxyethyl)-N-methyl-2-(piperidin-1-yl)-2,3-dihydro-1H-indene-2-carboxamide
• IUPAC Traditional name: N-(2-hydroxyethyl)-N-methyl-2-(piperidin-1-yl)-1,3-dihydroindene-2-carboxamide
• Synonyms: N-(2-hydroxyethyl)-N-methyl-2-(1-piperidinyl)-2-indanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.574752
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.99658394
• LogD (pH = 7.4): 0.7665066
• Log P: 1.8097634
• Molar Refractivity: 88.5098 cm^3
• Polarizability: 34.32002 Å^3
• Polar Surface Area: 43.78 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: 2.23
• LOG S: -3.31
• Polar Surface Area: 43.78 Å^2
• Rotatable Bonds: 4