2-(cyclohex-1-en-1-yl)-N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]acetamide

• ChemBase ID: 451248
• Molecular Formular: C22H30N2O
• Molecular Mass: 338.4864
• Monoisotopic Mass: 338.23581359
• SMILES: N1(C2Cc3c(C2)cccc3)CC(NC(=O)CC2=CCCCC2)CCC1
• Canonical SMILES: O=C(CC1=CCCCC1)NC1CCCN(C1)C1Cc2c(C1)cccc2
• InChI: InChI=1S/C22H30N2O/c25-22(13-17-7-2-1-3-8-17)23-20-11-6-12-24(16-20)21-14-18-9-4-5-10-19(18)15-21/h4-5,7,9-10,20-21H,1-3,6,8,11-16H2,(H,23,25)
• InChIKey: QDESBKRRMHYFCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclohex-1-en-1-yl)-N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]acetamide
• IUPAC Traditional name: 2-(cyclohex-1-en-1-yl)-N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]acetamide
• Synonyms: 2-(1-cyclohexen-1-yl)-N-[1-(2,3-dihydro-1H-inden-2-yl)-3-piperidinyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.95834
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.6007066
• LogD (pH = 7.4): 2.2766562
• Log P: 3.6869109
• Molar Refractivity: 103.5676 cm^3
• Polarizability: 39.967144 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 4.24
• LOG S: -4.83
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 4