1-cyclopentyl-4-{4-methoxy-2-[2-(methoxymethyl)piperidine-1-carbonyl]phenoxy}piperidine

• ChemBase ID: 612343
• Molecular Formular: C25H38N2O4
• Molecular Mass: 430.58022
• Monoisotopic Mass: 430.28315771
• SMILES: C(=O)(c1c(OC2CCN(CC2)C2CCCC2)ccc(c1)OC)N1C(COC)CCCC1
• Canonical SMILES: COCC1CCCCN1C(=O)c1cc(OC)ccc1OC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C25H38N2O4/c1-29-18-20-9-5-6-14-27(20)25(28)23-17-22(30-2)10-11-24(23)31-21-12-15-26(16-13-21)19-7-3-4-8-19/h10-11,17,19-21H,3-9,12-16,18H2,1-2H3
• InChIKey: CDNIGKCHRYJVNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentyl-4-{4-methoxy-2-[2-(methoxymethyl)piperidine-1-carbonyl]phenoxy}piperidine
• IUPAC Traditional name: 1-cyclopentyl-4-{4-methoxy-2-[2-(methoxymethyl)piperidine-1-carbonyl]phenoxy}piperidine
• Synonyms: 1-{2-[(1-cyclopentyl-4-piperidinyl)oxy]-5-methoxybenzoyl}-2-(methoxymethyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.17212261
• LogD (pH = 7.4): 1.1489452
• Log P: 3.2005613
• Molar Refractivity: 122.5762 cm^3
• Polarizability: 47.69523 Å^3
• Polar Surface Area: 51.24 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.49
• LOG S: -3.12
• Polar Surface Area: 51.24 Å^2
• Rotatable Bonds: 5