3-{1-[4-(4-methylphenoxy)piperidine-4-carbonyl]piperidin-2-yl}pyridine

• ChemBase ID: 451869
• Molecular Formular: C23H29N3O2
• Molecular Mass: 379.49526
• Monoisotopic Mass: 379.22597718
• SMILES: N1(C(=O)C2(Oc3ccc(cc3)C)CCNCC2)C(c2cnccc2)CCCC1
• Canonical SMILES: Cc1ccc(cc1)OC1(CCNCC1)C(=O)N1CCCCC1c1cccnc1
• InChI: InChI=1S/C23H29N3O2/c1-18-7-9-20(10-8-18)28-23(11-14-24-15-12-23)22(27)26-16-3-2-6-21(26)19-5-4-13-25-17-19/h4-5,7-10,13,17,21,24H,2-3,6,11-12,14-16H2,1H3
• InChIKey: AKGPLIMOGVSXKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{1-[4-(4-methylphenoxy)piperidine-4-carbonyl]piperidin-2-yl}pyridine
• IUPAC Traditional name: 3-{1-[4-(4-methylphenoxy)piperidine-4-carbonyl]piperidin-2-yl}pyridine
• Synonyms: 3-(1-{[4-(4-methylphenoxy)piperidin-4-yl]carbonyl}piperidin-2-yl)pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.519526
• LogD (pH = 7.4): 0.5588892
• Log P: 2.736228
• Molar Refractivity: 109.7267 cm^3
• Polarizability: 42.99847 Å^3
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.24
• LOG S: -2.58
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 4