N-cyclohexyl-3-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]propanamide

• ChemBase ID: 748982
• Molecular Formular: C18H34N2O3
• Molecular Mass: 326.47416
• Monoisotopic Mass: 326.25694296
• SMILES: C(=O)(CCN1CC(CO)(CCC1)CCOC)NC1CCCCC1
• Canonical SMILES: COCCC1(CO)CCCN(C1)CCC(=O)NC1CCCCC1
• InChI: InChI=1S/C18H34N2O3/c1-23-13-10-18(15-21)9-5-11-20(14-18)12-8-17(22)19-16-6-3-2-4-7-16/h16,21H,2-15H2,1H3,(H,19,22)
• InChIKey: LLPPPOYGMBTAEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-3-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]propanamide
• IUPAC Traditional name: N-cyclohexyl-3-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]propanamide
• Synonyms: N-cyclohexyl-3-[3-(hydroxymethyl)-3-(2-methoxyethyl)-1-piperidinyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.001282
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.1450672
• LogD (pH = 7.4): -0.5805519
• Log P: 1.0847547
• Molar Refractivity: 92.5725 cm^3
• Polarizability: 36.473404 Å^3
• Polar Surface Area: 61.8 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.25
• LOG S: -2.65
• Polar Surface Area: 61.8 Å^2
• Rotatable Bonds: 8