N-methyl-N-[2-(morpholin-4-yl)propyl]-1-(pyridine-2-carbonyl)piperidin-4-amine

• ChemBase ID: 757532
• Molecular Formular: C19H30N4O2
• Molecular Mass: 346.4671
• Monoisotopic Mass: 346.23687622
• SMILES: C(=O)(N1CCC(N(CC(N2CCOCC2)C)C)CC1)c1ncccc1
• Canonical SMILES: CN(C1CCN(CC1)C(=O)c1ccccn1)CC(N1CCOCC1)C
• InChI: InChI=1S/C19H30N4O2/c1-16(22-11-13-25-14-12-22)15-21(2)17-6-9-23(10-7-17)19(24)18-5-3-4-8-20-18/h3-5,8,16-17H,6-7,9-15H2,1-2H3
• InChIKey: OIISRXIICRFZFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[2-(morpholin-4-yl)propyl]-1-(pyridine-2-carbonyl)piperidin-4-amine
• IUPAC Traditional name: N-methyl-N-[2-(morpholin-4-yl)propyl]-1-(pyridine-2-carbonyl)piperidin-4-amine
• Synonyms: N-methyl-N-(2-morpholin-4-ylpropyl)-1-(pyridin-2-ylcarbonyl)piperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -2.7801766
• LogD (pH = 7.4): -1.7650266
• Log P: 0.6829414
• Molar Refractivity: 99.3644 cm^3
• Polarizability: 38.496468 Å^3
• Polar Surface Area: 48.91 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.0
• LOG S: -3.04
• Polar Surface Area: 48.91 Å^2
• Rotatable Bonds: 5