4-(1-{1-[(6-methylpyridin-2-yl)methyl]piperidin-4-yl}piperidine-4-carbonyl)morpholine

• ChemBase ID: 528624
• Molecular Formular: C22H34N4O2
• Molecular Mass: 386.53096
• Monoisotopic Mass: 386.26817635
• SMILES: C(=O)(N1CCOCC1)C1CCN(C2CCN(Cc3nc(ccc3)C)CC2)CC1
• Canonical SMILES: O=C(N1CCOCC1)C1CCN(CC1)C1CCN(CC1)Cc1cccc(n1)C
• InChI: InChI=1S/C22H34N4O2/c1-18-3-2-4-20(23-18)17-24-9-7-21(8-10-24)25-11-5-19(6-12-25)22(27)26-13-15-28-16-14-26/h2-4,19,21H,5-17H2,1H3
• InChIKey: HAKPWIOETLGFRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-{1-[(6-methylpyridin-2-yl)methyl]piperidin-4-yl}piperidine-4-carbonyl)morpholine
• IUPAC Traditional name: 4-(1-{1-[(6-methylpyridin-2-yl)methyl]piperidin-4-yl}piperidine-4-carbonyl)morpholine
• Synonyms: 1'-[(6-methyl-2-pyridinyl)methyl]-4-(4-morpholinylcarbonyl)-1,4'-bipiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -3.580463
• LogD (pH = 7.4): -1.893193
• Log P: 0.43163806
• Molar Refractivity: 111.0362 cm^3
• Polarizability: 43.42434 Å^3
• Polar Surface Area: 48.91 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.003
• LOG S: -0.36
• Polar Surface Area: 48.91 Å^2
• Rotatable Bonds: 4