2,2-dimethyl-4-{5-[4-(morpholin-4-yl)piperidine-1-carbonyl]pyridin-2-yl}morpholine

• ChemBase ID: 578311
• Molecular Formular: C21H32N4O3
• Molecular Mass: 388.50378
• Monoisotopic Mass: 388.2474409
• SMILES: C(=O)(N1CCC(N2CCOCC2)CC1)c1cnc(N2CC(OCC2)(C)C)cc1
• Canonical SMILES: O=C(c1ccc(nc1)N1CCOC(C1)(C)C)N1CCC(CC1)N1CCOCC1
• InChI: InChI=1S/C21H32N4O3/c1-21(2)16-25(11-14-28-21)19-4-3-17(15-22-19)20(26)24-7-5-18(6-8-24)23-9-12-27-13-10-23/h3-4,15,18H,5-14,16H2,1-2H3
• InChIKey: YIYCNVCCZWSCCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dimethyl-4-{5-[4-(morpholin-4-yl)piperidine-1-carbonyl]pyridin-2-yl}morpholine
• IUPAC Traditional name: 2,2-dimethyl-4-{5-[4-(morpholin-4-yl)piperidine-1-carbonyl]pyridin-2-yl}morpholine
• Synonyms: 2,2-dimethyl-4-{5-[(4-morpholin-4-ylpiperidin-1-yl)carbonyl]pyridin-2-yl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -0.9226965
• LogD (pH = 7.4): 0.7405028
• Log P: 1.0430241
• Molar Refractivity: 110.1721 cm^3
• Polarizability: 41.76484 Å^3
• Polar Surface Area: 58.14 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: 0.27
• LOG S: -3.57
• Polar Surface Area: 58.14 Å^2
• Rotatable Bonds: 3