2-(morpholin-3-yl)-1-{4-[(pyridin-2-yl)amino]piperidin-1-yl}ethan-1-one

• ChemBase ID: 670082
• Molecular Formular: C16H24N4O2
• Molecular Mass: 304.38736
• Monoisotopic Mass: 304.18992603
• SMILES: C(=O)(N1CCC(Nc2ncccc2)CC1)CC1NCCOC1
• Canonical SMILES: O=C(N1CCC(CC1)Nc1ccccn1)CC1COCCN1
• InChI: InChI=1S/C16H24N4O2/c21-16(11-14-12-22-10-7-17-14)20-8-4-13(5-9-20)19-15-3-1-2-6-18-15/h1-3,6,13-14,17H,4-5,7-12H2,(H,18,19)
• InChIKey: RXSNAKUBBWWWKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-3-yl)-1-{4-[(pyridin-2-yl)amino]piperidin-1-yl}ethan-1-one
• IUPAC Traditional name: 2-(morpholin-3-yl)-1-[4-(pyridin-2-ylamino)piperidin-1-yl]ethanone
• Synonyms: N-{1-[2-(3-morpholinyl)acetyl]-4-piperidinyl}-2-pyridinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -3.6141546
• LogD (pH = 7.4): -0.97134924
• Log P: -0.33676058
• Molar Refractivity: 85.7091 cm^3
• Polarizability: 32.804695 Å^3
• Polar Surface Area: 66.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.25
• LOG S: -2.52
• Polar Surface Area: 66.49 Å^2
• Rotatable Bonds: 4