1-[3-(5-methylfuran-2-yl)benzoyl]-N-phenylpiperidin-3-amine

• ChemBase ID: 685478
• Molecular Formular: C23H24N2O2
• Molecular Mass: 360.44886
• Monoisotopic Mass: 360.18377802
• SMILES: N1(C(=O)c2cc(c3oc(cc3)C)ccc2)CC(Nc2ccccc2)CCC1
• Canonical SMILES: Cc1ccc(o1)c1cccc(c1)C(=O)N1CCCC(C1)Nc1ccccc1
• InChI: InChI=1S/C23H24N2O2/c1-17-12-13-22(27-17)18-7-5-8-19(15-18)23(26)25-14-6-11-21(16-25)24-20-9-3-2-4-10-20/h2-5,7-10,12-13,15,21,24H,6,11,14,16H2,1H3
• InChIKey: MHHGHXBBDHTTIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-(5-methylfuran-2-yl)benzoyl]-N-phenylpiperidin-3-amine
• IUPAC Traditional name: 1-[3-(5-methylfuran-2-yl)benzoyl]-N-phenylpiperidin-3-amine
• Synonyms: 1-[3-(5-methyl-2-furyl)benzoyl]-N-phenyl-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.869163
• LogD (pH = 7.4): 3.91768
• Log P: 3.9183352
• Molar Refractivity: 109.1006 cm^3
• Polarizability: 41.98404 Å^3
• Polar Surface Area: 45.48 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: 4.78
• LOG S: -6.36
• Polar Surface Area: 45.48 Å^2
• Rotatable Bonds: 4