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

• ChemBase ID: 504074
• Molecular Formular: C24H35N3O
• Molecular Mass: 381.5542
• Monoisotopic Mass: 381.27801276
• SMILES: N1(CC(C(=O)NCC(=C)C)CCC1)C1CCN(C2Cc3c(C2)cccc3)CC1
• Canonical SMILES: CC(=C)CNC(=O)C1CCCN(C1)C1CCN(CC1)C1Cc2c(C1)cccc2
• InChI: InChI=1S/C24H35N3O/c1-18(2)16-25-24(28)21-8-5-11-27(17-21)22-9-12-26(13-10-22)23-14-19-6-3-4-7-20(19)15-23/h3-4,6-7,21-23H,1,5,8-17H2,2H3,(H,25,28)
• InChIKey: FUUSDCZMZHHULA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(2-methylprop-2-en-1-yl)piperidine-3-carboxamide
• IUPAC Traditional name: 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(2-methylprop-2-en-1-yl)piperidine-3-carboxamide
• Synonyms: 1'-(2,3-dihydro-1H-inden-2-yl)-N-(2-methyl-2-propen-1-yl)-1,4'-bipiperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.815868
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.6760662
• LogD (pH = 7.4): -0.24943787
• Log P: 2.950128
• Molar Refractivity: 116.1781 cm^3
• Polarizability: 45.18075 Å^3
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.84
• LOG S: -3.9
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 5