N-[1-(cyclohexylmethyl)piperidin-3-yl]-3-(morpholin-4-yl)propanamide

• ChemBase ID: 500352
• Molecular Formular: C19H35N3O2
• Molecular Mass: 337.5001
• Monoisotopic Mass: 337.27292738
• SMILES: N1(CC(NC(=O)CCN2CCOCC2)CCC1)CC1CCCCC1
• Canonical SMILES: O=C(NC1CCCN(C1)CC1CCCCC1)CCN1CCOCC1
• InChI: InChI=1S/C19H35N3O2/c23-19(8-10-21-11-13-24-14-12-21)20-18-7-4-9-22(16-18)15-17-5-2-1-3-6-17/h17-18H,1-16H2,(H,20,23)
• InChIKey: GGBVDBCAMROYCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(cyclohexylmethyl)piperidin-3-yl]-3-(morpholin-4-yl)propanamide
• IUPAC Traditional name: N-[1-(cyclohexylmethyl)piperidin-3-yl]-3-(morpholin-4-yl)propanamide
• Synonyms: N-[1-(cyclohexylmethyl)-3-piperidinyl]-3-(4-morpholinyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.997661
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.2676718
• LogD (pH = 7.4): -0.40486792
• Log P: 1.7018908
• Molar Refractivity: 97.5408 cm^3
• Polarizability: 38.490273 Å^3
• Polar Surface Area: 44.81 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.23
• LOG S: -1.31
• Polar Surface Area: 44.81 Å^2
• Rotatable Bonds: 6