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

• ChemBase ID: 445426
• Molecular Formular: C19H29N5O2
• Molecular Mass: 359.46586
• Monoisotopic Mass: 359.23212519
• SMILES: C(=O)(C1CN(C2CCN(c3nccnc3)CC2)CCC1)N1CCOCC1
• Canonical SMILES: O=C(N1CCOCC1)C1CCCN(C1)C1CCN(CC1)c1cnccn1
• InChI: InChI=1S/C19H29N5O2/c25-19(23-10-12-26-13-11-23)16-2-1-7-24(15-16)17-3-8-22(9-4-17)18-14-20-5-6-21-18/h5-6,14,16-17H,1-4,7-13,15H2
• InChIKey: PMAHMGDFLPUSBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -3.4558601
• LogD (pH = 7.4): -2.1381385
• Log P: -0.08186435
• Molar Refractivity: 100.8554 cm^3
• Polarizability: 38.554188 Å^3
• Polar Surface Area: 61.8 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: 0.86
• LOG S: -2.56
• Polar Surface Area: 61.8 Å^2
• Rotatable Bonds: 3