5-[3-(methoxymethyl)piperidine-1-carbonyl]-N-methyl-N-(2-methylpropyl)pyridin-2-amine

• ChemBase ID: 379297
• Molecular Formular: C18H29N3O2
• Molecular Mass: 319.44176
• Monoisotopic Mass: 319.22597718
• SMILES: N1(C(=O)c2cnc(N(CC(C)C)C)cc2)CC(COC)CCC1
• Canonical SMILES: COCC1CCCN(C1)C(=O)c1ccc(nc1)N(CC(C)C)C
• InChI: InChI=1S/C18H29N3O2/c1-14(2)11-20(3)17-8-7-16(10-19-17)18(22)21-9-5-6-15(12-21)13-23-4/h7-8,10,14-15H,5-6,9,11-13H2,1-4H3
• InChIKey: IIKXPSISFQDKHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[3-(methoxymethyl)piperidine-1-carbonyl]-N-methyl-N-(2-methylpropyl)pyridin-2-amine
• IUPAC Traditional name: 5-[3-(methoxymethyl)piperidine-1-carbonyl]-N-methyl-N-(2-methylpropyl)pyridin-2-amine
• Synonyms: N-isobutyl-5-{[3-(methoxymethyl)-1-piperidinyl]carbonyl}-N-methyl-2-pyridinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.370404
• LogD (pH = 7.4): 2.4623952
• Log P: 2.463714
• Molar Refractivity: 94.4539 cm^3
• Polarizability: 35.463844 Å^3
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.98
• LOG S: -4.04
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 4