N-[1-(cyclohexylmethyl)piperidin-3-yl]-3-(dimethyl-1,2-oxazol-4-yl)propanamide

• ChemBase ID: 586145
• Molecular Formular: C20H33N3O2
• Molecular Mass: 347.49492
• Monoisotopic Mass: 347.25727731
• SMILES: c1(c(onc1C)C)CCC(=O)NC1CN(CC2CCCCC2)CCC1
• Canonical SMILES: O=C(NC1CCCN(C1)CC1CCCCC1)CCc1c(C)noc1C
• InChI: InChI=1S/C20H33N3O2/c1-15-19(16(2)25-22-15)10-11-20(24)21-18-9-6-12-23(14-18)13-17-7-4-3-5-8-17/h17-18H,3-14H2,1-2H3,(H,21,24)
• InChIKey: GNLNOLGSQNXIQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(cyclohexylmethyl)piperidin-3-yl]-3-(dimethyl-1,2-oxazol-4-yl)propanamide
• IUPAC Traditional name: N-[1-(cyclohexylmethyl)piperidin-3-yl]-3-(dimethyl-1,2-oxazol-4-yl)propanamide
• Synonyms: N-[1-(cyclohexylmethyl)-3-piperidinyl]-3-(3,5-dimethyl-4-isoxazolyl)propanamide

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 15.485199
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.56672794
• LogD (pH = 7.4): 0.8469732
• Log P: 2.7662654
• Molar Refractivity: 100.844 cm^3
• Polarizability: 38.73565 Å^3
• Polar Surface Area: 58.37 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 6
• H Acceptors: 4
• H Donor: 1
• Log P: 2.91
• LOG S: -3.96
• Polar Surface Area: 58.37 Å^2