2-(4-ethylpiperazin-1-yl)-N-[2-(piperidin-2-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide

• ChemBase ID: 866166
• Molecular Formular: C23H36N4O
• Molecular Mass: 384.55814
• Monoisotopic Mass: 384.28891179
• SMILES: C1(N2CCN(CC2)CC)(Cc2c(C1)cccc2)C(=O)NCCC1NCCCC1
• Canonical SMILES: CCN1CCN(CC1)C1(Cc2c(C1)cccc2)C(=O)NCCC1CCCCN1
• InChI: InChI=1S/C23H36N4O/c1-2-26-13-15-27(16-14-26)23(17-19-7-3-4-8-20(19)18-23)22(28)25-12-10-21-9-5-6-11-24-21/h3-4,7-8,21,24H,2,5-6,9-18H2,1H3,(H,25,28)
• InChIKey: GIVAMFZXLNLPNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-ethylpiperazin-1-yl)-N-[2-(piperidin-2-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide
• IUPAC Traditional name: 2-(4-ethylpiperazin-1-yl)-N-[2-(piperidin-2-yl)ethyl]-1,3-dihydroindene-2-carboxamide
• Synonyms: 2-(4-ethyl-1-piperazinyl)-N-[2-(2-piperidinyl)ethyl]-2-indanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.790812
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.3364224
• LogD (pH = 7.4): -1.1062241
• Log P: 2.2354403
• Molar Refractivity: 115.3795 cm^3
• Polarizability: 45.252277 Å^3
• Polar Surface Area: 47.61 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.15
• LOG S: -3.84
• Polar Surface Area: 47.61 Å^2
• Rotatable Bonds: 6