4-{1-[4-(pyridin-2-yl)pyrimidin-2-yl]piperidine-4-carbonyl}morpholine

• ChemBase ID: 500452
• Molecular Formular: C19H23N5O2
• Molecular Mass: 353.41822
• Monoisotopic Mass: 353.185175
• SMILES: c1(nc(c2ncccc2)ccn1)N1CCC(C(=O)N2CCOCC2)CC1
• Canonical SMILES: O=C(N1CCOCC1)C1CCN(CC1)c1nccc(n1)c1ccccn1
• InChI: InChI=1S/C19H23N5O2/c25-18(23-11-13-26-14-12-23)15-5-9-24(10-6-15)19-21-8-4-17(22-19)16-3-1-2-7-20-16/h1-4,7-8,15H,5-6,9-14H2
• InChIKey: HUPDWOCGXFZLEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{1-[4-(pyridin-2-yl)pyrimidin-2-yl]piperidine-4-carbonyl}morpholine
• IUPAC Traditional name: 4-{1-[4-(pyridin-2-yl)pyrimidin-2-yl]piperidine-4-carbonyl}morpholine
• Synonyms: 4-({1-[4-(2-pyridinyl)-2-pyrimidinyl]-4-piperidinyl}carbonyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.5309838
• LogD (pH = 7.4): 1.5328152
• Log P: 1.5328386
• Molar Refractivity: 98.4042 cm^3
• Polarizability: 38.594807 Å^3
• Polar Surface Area: 71.45 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.58
• LOG S: -2.75
• Polar Surface Area: 71.45 Å^2
• Rotatable Bonds: 3