N-(3-cyclopentylpropyl)-2-(4-ethylpiperazin-1-yl)-2,3-dihydro-1H-indene-2-carboxamide

• ChemBase ID: 485099
• Molecular Formular: C24H37N3O
• Molecular Mass: 383.57008
• Monoisotopic Mass: 383.29366282
• SMILES: C1(N2CCN(CC2)CC)(Cc2c(C1)cccc2)C(=O)NCCCC1CCCC1
• Canonical SMILES: CCN1CCN(CC1)C1(Cc2c(C1)cccc2)C(=O)NCCCC1CCCC1
• InChI: InChI=1S/C24H37N3O/c1-2-26-14-16-27(17-15-26)24(18-21-11-5-6-12-22(21)19-24)23(28)25-13-7-10-20-8-3-4-9-20/h5-6,11-12,20H,2-4,7-10,13-19H2,1H3,(H,25,28)
• InChIKey: QPBPKKHSZQPIHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.829688
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7692496
• LogD (pH = 7.4): 3.514117
• Log P: 4.110649
• Molar Refractivity: 116.4005 cm^3
• Polarizability: 45.574078 Å^3
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.88
• LOG S: -3.69
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 6