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

• ChemBase ID: 324112
• Molecular Formular: C19H27N3O
• Molecular Mass: 313.43718
• Monoisotopic Mass: 313.2154125
• SMILES: C1(C(=O)NC2CCNC2)(N2CCCCC2)Cc2c(C1)cccc2
• Canonical SMILES: O=C(C1(Cc2c(C1)cccc2)N1CCCCC1)NC1CNCC1
• InChI: InChI=1S/C19H27N3O/c23-18(21-17-8-9-20-14-17)19(22-10-4-1-5-11-22)12-15-6-2-3-7-16(15)13-19/h2-3,6-7,17,20H,1,4-5,8-14H2,(H,21,23)
• InChIKey: AXUBTFHWMSFPSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.520716
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.0527983
• LogD (pH = 7.4): -1.8582205
• Log P: 1.8599879
• Molar Refractivity: 92.6118 cm^3
• Polarizability: 36.34947 Å^3
• Polar Surface Area: 44.37 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.06
• LOG S: -3.25
• Polar Surface Area: 44.37 Å^2
• Rotatable Bonds: 3