4-{1-[1-(pyridine-2-carbonyl)piperidin-4-yl]piperidine-3-carbonyl}morpholine

• ChemBase ID: 401971
• Molecular Formular: C21H30N4O3
• Molecular Mass: 386.4879
• Monoisotopic Mass: 386.23179084
• SMILES: C(=O)(C1CN(C2CCN(C(=O)c3ncccc3)CC2)CCC1)N1CCOCC1
• Canonical SMILES: O=C(N1CCOCC1)C1CCCN(C1)C1CCN(CC1)C(=O)c1ccccn1
• InChI: InChI=1S/C21H30N4O3/c26-20(24-12-14-28-15-13-24)17-4-3-9-25(16-17)18-6-10-23(11-7-18)21(27)19-5-1-2-8-22-19/h1-2,5,8,17-18H,3-4,6-7,9-16H2
• InChIKey: ULEOXJYGXQFWSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{1-[1-(pyridine-2-carbonyl)piperidin-4-yl]piperidine-3-carbonyl}morpholine
• IUPAC Traditional name: 4-{1-[1-(pyridine-2-carbonyl)piperidin-4-yl]piperidine-3-carbonyl}morpholine
• Synonyms: 3-(morpholin-4-ylcarbonyl)-1'-(pyridin-2-ylcarbonyl)-1,4'-bipiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -3.2469969
• LogD (pH = 7.4): -1.9034299
• Log P: 0.117149435
• Molar Refractivity: 106.77 cm^3
• Polarizability: 41.1523 Å^3
• Polar Surface Area: 65.98 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: 0.14
• LOG S: -3.45
• Polar Surface Area: 65.98 Å^2
• Rotatable Bonds: 3