N-[1-(cyclohexylmethyl)piperidin-3-yl]-3-methoxypropanamide

• ChemBase ID: 772469
• Molecular Formular: C16H30N2O2
• Molecular Mass: 282.4216
• Monoisotopic Mass: 282.23072821
• SMILES: N1(CC(NC(=O)CCOC)CCC1)CC1CCCCC1
• Canonical SMILES: COCCC(=O)NC1CCCN(C1)CC1CCCCC1
• InChI: InChI=1S/C16H30N2O2/c1-20-11-9-16(19)17-15-8-5-10-18(13-15)12-14-6-3-2-4-7-14/h14-15H,2-13H2,1H3,(H,17,19)
• InChIKey: SXXIRWVJOJHDRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(cyclohexylmethyl)piperidin-3-yl]-3-methoxypropanamide
• IUPAC Traditional name: N-[1-(cyclohexylmethyl)piperidin-3-yl]-3-methoxypropanamide
• Synonyms: N-[1-(cyclohexylmethyl)-3-piperidinyl]-3-methoxypropanamide

CALCULATED PROPERTIES

JChem

• Log P: 1.8547713
• Molar Refractivity: 81.4907 cm^3
• Polarizability: 32.16681 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 16.019485
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.4781686
• LogD (pH = 7.4): -0.064521104

供应商提供(Chembridge)

• Log P: 2.92
• LOG S: -2.17
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 5
• H Acceptors: 3
• H Donor: 1