1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(propan-2-yl)piperidine-3-carboxamide

• ChemBase ID: 317492
• Molecular Formular: C23H35N3O
• Molecular Mass: 369.5435
• Monoisotopic Mass: 369.27801276
• SMILES: C(=O)(C1CN(C2CCN(C3Cc4c(C3)cccc4)CC2)CCC1)NC(C)C
• Canonical SMILES: CC(NC(=O)C1CCCN(C1)C1CCN(CC1)C1Cc2c(C1)cccc2)C
• InChI: InChI=1S/C23H35N3O/c1-17(2)24-23(27)20-8-5-11-26(16-20)21-9-12-25(13-10-21)22-14-18-6-3-4-7-19(18)15-22/h3-4,6-7,17,20-22H,5,8-16H2,1-2H3,(H,24,27)
• InChIKey: VJJDEHSHJLZALZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(propan-2-yl)piperidine-3-carboxamide
• IUPAC Traditional name: 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-isopropylpiperidine-3-carboxamide
• Synonyms: 1'-(2,3-dihydro-1H-inden-2-yl)-N-isopropyl-1,4'-bipiperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.873201
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.838865
• LogD (pH = 7.4): -0.36681965
• Log P: 2.7489
• Molar Refractivity: 111.9008 cm^3
• Polarizability: 43.572613 Å^3
• Polar Surface Area: 35.58 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: 2.51
• LOG S: -3.49
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 3