1-[5-(methoxymethyl)thiophene-2-carbonyl]-4-(2-methoxyphenoxy)piperidine

• ChemBase ID: 550453
• Molecular Formular: C19H23NO4S
• Molecular Mass: 361.45522
• Monoisotopic Mass: 361.13477922
• SMILES: c1(C(=O)N2CCC(Oc3c(OC)cccc3)CC2)sc(cc1)COC
• Canonical SMILES: COCc1ccc(s1)C(=O)N1CCC(CC1)Oc1ccccc1OC
• InChI: InChI=1S/C19H23NO4S/c1-22-13-15-7-8-18(25-15)19(21)20-11-9-14(10-12-20)24-17-6-4-3-5-16(17)23-2/h3-8,14H,9-13H2,1-2H3
• InChIKey: JCZOSJZASSZONF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[5-(methoxymethyl)thiophene-2-carbonyl]-4-(2-methoxyphenoxy)piperidine
• IUPAC Traditional name: 1-[5-(methoxymethyl)thiophene-2-carbonyl]-4-(2-methoxyphenoxy)piperidine
• Synonyms: 1-{[5-(methoxymethyl)-2-thienyl]carbonyl}-4-(2-methoxyphenoxy)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.6868756
• LogD (pH = 7.4): 2.6868758
• Log P: 2.6868758
• Molar Refractivity: 97.6183 cm^3
• Polarizability: 37.50028 Å^3
• Polar Surface Area: 48.0 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: 2.5
• LOG S: -3.97
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 6