N3-(9H-fluoren-9-yl)piperidine-1,3-dicarboxamide

• ChemBase ID: 647712
• Molecular Formular: C20H21N3O2
• Molecular Mass: 335.39964
• Monoisotopic Mass: 335.16337693
• SMILES: C1(NC(=O)C2CN(C(=O)N)CCC2)c2c(c3c1cccc3)cccc2
• Canonical SMILES: O=C(C1CCCN(C1)C(=O)N)NC1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C20H21N3O2/c21-20(25)23-11-5-6-13(12-23)19(24)22-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-4,7-10,13,18H,5-6,11-12H2,(H2,21,25)(H,22,24)
• InChIKey: DRFKXVDSTGHLRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N3-(9H-fluoren-9-yl)piperidine-1,3-dicarboxamide
• IUPAC Traditional name: N3-(9H-fluoren-9-yl)piperidine-1,3-dicarboxamide
• Synonyms: N~3~-9H-fluoren-9-yl-1,3-piperidinedicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.376045
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.9119625
• LogD (pH = 7.4): 1.9119623
• Log P: 1.9119626
• Molar Refractivity: 95.8564 cm^3
• Polarizability: 38.098797 Å^3
• Polar Surface Area: 75.43 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 1.49
• LOG S: -3.31
• Polar Surface Area: 75.43 Å^2
• Rotatable Bonds: 2