3-[1-(3-phenylbutyl)piperidin-4-yl]-1,3-oxazolidin-2-one

• ChemBase ID: 836381
• Molecular Formular: C18H26N2O2
• Molecular Mass: 302.41124
• Monoisotopic Mass: 302.19942808
• SMILES: C1(=O)N(C2CCN(CC2)CCC(c2ccccc2)C)CCO1
• Canonical SMILES: CC(c1ccccc1)CCN1CCC(CC1)N1CCOC1=O
• InChI: InChI=1S/C18H26N2O2/c1-15(16-5-3-2-4-6-16)7-10-19-11-8-17(9-12-19)20-13-14-22-18(20)21/h2-6,15,17H,7-14H2,1H3
• InChIKey: DCKUDDLGHLHFGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[1-(3-phenylbutyl)piperidin-4-yl]-1,3-oxazolidin-2-one
• IUPAC Traditional name: 3-[1-(3-phenylbutyl)piperidin-4-yl]-1,3-oxazolidin-2-one
• Synonyms: 3-[1-(3-phenylbutyl)piperidin-4-yl]-1,3-oxazolidin-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.6376857
• LogD (pH = 7.4): 0.8731793
• Log P: 2.6363583
• Molar Refractivity: 87.8822 cm^3
• Polarizability: 34.31956 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.06
• LOG S: -3.01
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 5