5-[4-(morpholin-4-yl)piperidine-1-carbonyl]-N-(propan-2-yl)pyridin-2-amine

• ChemBase ID: 687018
• Molecular Formular: C18H28N4O2
• Molecular Mass: 332.44052
• Monoisotopic Mass: 332.22122616
• SMILES: C(=O)(N1CCC(N2CCOCC2)CC1)c1cnc(NC(C)C)cc1
• Canonical SMILES: CC(Nc1ccc(cn1)C(=O)N1CCC(CC1)N1CCOCC1)C
• InChI: InChI=1S/C18H28N4O2/c1-14(2)20-17-4-3-15(13-19-17)18(23)22-7-5-16(6-8-22)21-9-11-24-12-10-21/h3-4,13-14,16H,5-12H2,1-2H3,(H,19,20)
• InChIKey: IFIZWKLGECNFNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[4-(morpholin-4-yl)piperidine-1-carbonyl]-N-(propan-2-yl)pyridin-2-amine
• IUPAC Traditional name: N-isopropyl-5-[4-(morpholin-4-yl)piperidine-1-carbonyl]pyridin-2-amine
• Synonyms: N-isopropyl-5-[(4-morpholin-4-ylpiperidin-1-yl)carbonyl]pyridin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.3033531
• LogD (pH = 7.4): 0.3986369
• Log P: 0.70249015
• Molar Refractivity: 96.9732 cm^3
• Polarizability: 36.266956 Å^3
• Polar Surface Area: 57.7 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.87
• LOG S: -2.37
• Polar Surface Area: 57.7 Å^2
• Rotatable Bonds: 4