2-methoxy-4-[3-(3-methoxypropyl)piperidine-1-carbonyl]pyridine

• ChemBase ID: 655186
• Molecular Formular: C16H24N2O3
• Molecular Mass: 292.37336
• Monoisotopic Mass: 292.17869264
• SMILES: N1(C(=O)c2cc(ncc2)OC)CC(CCC1)CCCOC
• Canonical SMILES: COCCCC1CCCN(C1)C(=O)c1ccnc(c1)OC
• InChI: InChI=1S/C16H24N2O3/c1-20-10-4-6-13-5-3-9-18(12-13)16(19)14-7-8-17-15(11-14)21-2/h7-8,11,13H,3-6,9-10,12H2,1-2H3
• InChIKey: DZMORDZWEIUNKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-4-[3-(3-methoxypropyl)piperidine-1-carbonyl]pyridine
• IUPAC Traditional name: 2-methoxy-4-[3-(3-methoxypropyl)piperidine-1-carbonyl]pyridine
• Synonyms: 2-methoxy-4-{[3-(3-methoxypropyl)-1-piperidinyl]carbonyl}pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.8012508
• LogD (pH = 7.4): 1.801276
• Log P: 1.8012762
• Molar Refractivity: 82.0451 cm^3
• Polarizability: 31.333712 Å^3
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.61
• LOG S: -2.71
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 6