3-methoxy-1-{4-[4-(3-propoxypiperidine-1-carbonyl)phenoxy]piperidin-1-yl}propan-1-one

• ChemBase ID: 562091
• Molecular Formular: C24H36N2O5
• Molecular Mass: 432.55304
• Monoisotopic Mass: 432.26242226
• SMILES: N1(C(=O)c2ccc(OC3CCN(C(=O)CCOC)CC3)cc2)CC(OCCC)CCC1
• Canonical SMILES: CCCOC1CCCN(C1)C(=O)c1ccc(cc1)OC1CCN(CC1)C(=O)CCOC
• InChI: InChI=1S/C24H36N2O5/c1-3-16-30-22-5-4-13-26(18-22)24(28)19-6-8-20(9-7-19)31-21-10-14-25(15-11-21)23(27)12-17-29-2/h6-9,21-22H,3-5,10-18H2,1-2H3
• InChIKey: BUHIFBZQSWWNOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-1-{4-[4-(3-propoxypiperidine-1-carbonyl)phenoxy]piperidin-1-yl}propan-1-one
• IUPAC Traditional name: 3-methoxy-1-{4-[4-(3-propoxypiperidine-1-carbonyl)phenoxy]piperidin-1-yl}propan-1-one
• Synonyms: 1-(4-{[1-(3-methoxypropanoyl)-4-piperidinyl]oxy}benzoyl)-3-propoxypiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.7280778
• LogD (pH = 7.4): 1.728078
• Log P: 1.728078
• Molar Refractivity: 119.7954 cm^3
• Polarizability: 46.298603 Å^3
• Polar Surface Area: 68.31 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.82
• LOG S: -3.58
• Polar Surface Area: 68.31 Å^2
• Rotatable Bonds: 6