N-[2-(4-methylmorpholin-2-yl)ethyl]-1-(piperidin-1-yl)cyclohexane-1-carboxamide

• ChemBase ID: 591866
• Molecular Formular: C19H35N3O2
• Molecular Mass: 337.5001
• Monoisotopic Mass: 337.27292738
• SMILES: C1(N2CCCCC2)(C(=O)NCCC2OCCN(C2)C)CCCCC1
• Canonical SMILES: CN1CCOC(C1)CCNC(=O)C1(CCCCC1)N1CCCCC1
• InChI: InChI=1S/C19H35N3O2/c1-21-14-15-24-17(16-21)8-11-20-18(23)19(9-4-2-5-10-19)22-12-6-3-7-13-22/h17H,2-16H2,1H3,(H,20,23)
• InChIKey: OIGZQWBNJNZFIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-methylmorpholin-2-yl)ethyl]-1-(piperidin-1-yl)cyclohexane-1-carboxamide
• IUPAC Traditional name: N-[2-(4-methylmorpholin-2-yl)ethyl]-1-(piperidin-1-yl)cyclohexane-1-carboxamide
• Synonyms: N-[2-(4-methylmorpholin-2-yl)ethyl]-1-piperidin-1-ylcyclohexanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.818107
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.0400963
• LogD (pH = 7.4): 0.010266367
• Log P: 1.882541
• Molar Refractivity: 97.6168 cm^3
• Polarizability: 38.490273 Å^3
• Polar Surface Area: 44.81 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.61
• LOG S: -3.04
• Polar Surface Area: 44.81 Å^2
• Rotatable Bonds: 5