1-(4-{[(dimethyl-1,2-oxazol-4-yl)methyl](methyl)amino}piperidin-1-yl)ethan-1-one

• ChemBase ID: 700354
• Molecular Formular: C14H23N3O2
• Molecular Mass: 265.35132
• Monoisotopic Mass: 265.17902699
• SMILES: c1(CN(C2CCN(C(=O)C)CC2)C)c(onc1C)C
• Canonical SMILES: CN(C1CCN(CC1)C(=O)C)Cc1c(C)noc1C
• InChI: InChI=1S/C14H23N3O2/c1-10-14(11(2)19-15-10)9-16(4)13-5-7-17(8-6-13)12(3)18/h13H,5-9H2,1-4H3
• InChIKey: YVUFMBKJZJWCNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-{[(dimethyl-1,2-oxazol-4-yl)methyl](methyl)amino}piperidin-1-yl)ethan-1-one
• IUPAC Traditional name: 1-(4-{[(dimethyl-1,2-oxazol-4-yl)methyl](methyl)amino}piperidin-1-yl)ethanone
• Synonyms: 1-acetyl-N-[(3,5-dimethylisoxazol-4-yl)methyl]-N-methylpiperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.9576325
• LogD (pH = 7.4): -1.1967176
• Log P: -0.13618006
• Molar Refractivity: 75.5062 cm^3
• Polarizability: 28.426004 Å^3
• Polar Surface Area: 49.58 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.95
• LOG S: -1.64
• Polar Surface Area: 49.58 Å^2
• Rotatable Bonds: 3