4-({3-[2-(1-cyclobutanecarbonylpiperidin-2-yl)ethoxy]-4-methoxyphenyl}methyl)morpholine

• ChemBase ID: 683464
• Molecular Formular: C24H36N2O4
• Molecular Mass: 416.55364
• Monoisotopic Mass: 416.26750764
• SMILES: N1(C(=O)C2CCC2)C(CCOc2c(ccc(c2)CN2CCOCC2)OC)CCCC1
• Canonical SMILES: COc1ccc(cc1OCCC1CCCCN1C(=O)C1CCC1)CN1CCOCC1
• InChI: InChI=1S/C24H36N2O4/c1-28-22-9-8-19(18-25-12-15-29-16-13-25)17-23(22)30-14-10-21-7-2-3-11-26(21)24(27)20-5-4-6-20/h8-9,17,20-21H,2-7,10-16,18H2,1H3
• InChIKey: ISGXTRRGHIBSJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-({3-[2-(1-cyclobutanecarbonylpiperidin-2-yl)ethoxy]-4-methoxyphenyl}methyl)morpholine
• IUPAC Traditional name: 4-({3-[2-(1-cyclobutanecarbonylpiperidin-2-yl)ethoxy]-4-methoxyphenyl}methyl)morpholine
• Synonyms: 4-(3-{2-[1-(cyclobutylcarbonyl)-2-piperidinyl]ethoxy}-4-methoxybenzyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.0233624
• LogD (pH = 7.4): 2.7928417
• Log P: 2.8207963
• Molar Refractivity: 117.5697 cm^3
• Polarizability: 46.06888 Å^3
• Polar Surface Area: 51.24 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.89
• LOG S: -2.61
• Polar Surface Area: 51.24 Å^2
• Rotatable Bonds: 7