1-cyclopropanecarbonyl-4-{4-[3-(methoxymethyl)piperidine-1-carbonyl]phenoxy}piperidine

• ChemBase ID: 850040
• Molecular Formular: C23H32N2O4
• Molecular Mass: 400.51118
• Monoisotopic Mass: 400.23620751
• SMILES: N1(C(=O)c2ccc(OC3CCN(C(=O)C4CC4)CC3)cc2)CC(COC)CCC1
• Canonical SMILES: COCC1CCCN(C1)C(=O)c1ccc(cc1)OC1CCN(CC1)C(=O)C1CC1
• InChI: InChI=1S/C23H32N2O4/c1-28-16-17-3-2-12-25(15-17)23(27)19-6-8-20(9-7-19)29-21-10-13-24(14-11-21)22(26)18-4-5-18/h6-9,17-18,21H,2-5,10-16H2,1H3
• InChIKey: GSDQLNAPZHMGJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropanecarbonyl-4-{4-[3-(methoxymethyl)piperidine-1-carbonyl]phenoxy}piperidine
• IUPAC Traditional name: 1-cyclopropanecarbonyl-4-{4-[3-(methoxymethyl)piperidine-1-carbonyl]phenoxy}piperidine
• Synonyms: 1-(4-{[1-(cyclopropylcarbonyl)-4-piperidinyl]oxy}benzoyl)-3-(methoxymethyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.6104068
• LogD (pH = 7.4): 1.6104072
• Log P: 1.6104072
• Molar Refractivity: 111.7092 cm^3
• Polarizability: 43.02824 Å^3
• Polar Surface Area: 59.08 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: 0.14
• LOG S: -3.42
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 5