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

• ChemBase ID: 576756
• Molecular Formular: C20H29N3O
• Molecular Mass: 327.46376
• Monoisotopic Mass: 327.23106256
• SMILES: C1(C(=O)NC2CCNCC2)(N2CCCCC2)Cc2c(C1)cccc2
• Canonical SMILES: O=C(C1(Cc2c(C1)cccc2)N1CCCCC1)NC1CCNCC1
• InChI: InChI=1S/C20H29N3O/c24-19(22-18-8-10-21-11-9-18)20(23-12-4-1-5-13-23)14-16-6-2-3-7-17(16)15-20/h2-3,6-7,18,21H,1,4-5,8-15H2,(H,22,24)
• InChIKey: OQNDVZBDTQNIMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.598938
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.0047064
• LogD (pH = 7.4): -1.5479094
• Log P: 1.9199476
• Molar Refractivity: 97.4772 cm^3
• Polarizability: 38.194008 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: 2.45
• LOG S: -3.68
• Polar Surface Area: 44.37 Å^2
• Rotatable Bonds: 3