N-{2-[1-(9H-fluorene-9-carbonyl)piperidin-2-yl]ethyl}acetamide

• ChemBase ID: 830629
• Molecular Formular: C23H26N2O2
• Molecular Mass: 362.46474
• Monoisotopic Mass: 362.19942808
• SMILES: C(=O)(C1c2c(c3c1cccc3)cccc2)N1C(CCNC(=O)C)CCCC1
• Canonical SMILES: CC(=O)NCCC1CCCCN1C(=O)C1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C23H26N2O2/c1-16(26)24-14-13-17-8-6-7-15-25(17)23(27)22-20-11-4-2-9-18(20)19-10-3-5-12-21(19)22/h2-5,9-12,17,22H,6-8,13-15H2,1H3,(H,24,26)
• InChIKey: VVCHSLYFZCLZLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[1-(9H-fluorene-9-carbonyl)piperidin-2-yl]ethyl}acetamide
• IUPAC Traditional name: N-{2-[1-(9H-fluorene-9-carbonyl)piperidin-2-yl]ethyl}acetamide
• Synonyms: N-{2-[1-(9H-fluoren-9-ylcarbonyl)-2-piperidinyl]ethyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.780943
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.594129
• LogD (pH = 7.4): 2.594129
• Log P: 2.594129
• Molar Refractivity: 106.8001 cm^3
• Polarizability: 42.513096 Å^3
• Polar Surface Area: 49.41 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: 2.98
• LOG S: -5.5
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 4