3-[1-(7-chloro-9-oxo-9H-fluorene-1-carbonyl)piperidin-4-yl]-N-cyclopropylpropanamide

• ChemBase ID: 313369
• Molecular Formular: C25H25ClN2O3
• Molecular Mass: 436.9306
• Monoisotopic Mass: 436.15537035
• SMILES: c12C(=O)c3c(c2cccc1C(=O)N1CCC(CC1)CCC(=O)NC1CC1)ccc(c3)Cl
• Canonical SMILES: O=C(NC1CC1)CCC1CCN(CC1)C(=O)c1cccc2c1C(=O)c1c2ccc(c1)Cl
• InChI: InChI=1S/C25H25ClN2O3/c26-16-5-8-18-19-2-1-3-20(23(19)24(30)21(18)14-16)25(31)28-12-10-15(11-13-28)4-9-22(29)27-17-6-7-17/h1-3,5,8,14-15,17H,4,6-7,9-13H2,(H,27,29)
• InChIKey: DXERMMOBEJXFHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[1-(7-chloro-9-oxo-9H-fluorene-1-carbonyl)piperidin-4-yl]-N-cyclopropylpropanamide
• IUPAC Traditional name: 3-[1-(7-chloro-9-oxofluorene-1-carbonyl)piperidin-4-yl]-N-cyclopropylpropanamide
• Synonyms: 3-{1-[(7-chloro-9-oxo-9H-fluoren-1-yl)carbonyl]-4-piperidinyl}-N-cyclopropylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.339307
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.597194
• LogD (pH = 7.4): 3.5971942
• Log P: 3.5971942
• Molar Refractivity: 120.8764 cm^3
• Polarizability: 47.30833 Å^3
• Polar Surface Area: 66.48 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: 2.82
• LOG S: -6.04
• Polar Surface Area: 66.48 Å^2
• Rotatable Bonds: 5