1-[1-(3-methoxybenzoyl)piperidin-3-yl]-4-(2-methoxyphenyl)piperazine

• ChemBase ID: 446114
• Molecular Formular: C24H31N3O3
• Molecular Mass: 409.52124
• Monoisotopic Mass: 409.23654187
• SMILES: N1(C(=O)c2cc(OC)ccc2)CC(N2CCN(c3c(OC)cccc3)CC2)CCC1
• Canonical SMILES: COc1cccc(c1)C(=O)N1CCCC(C1)N1CCN(CC1)c1ccccc1OC
• InChI: InChI=1S/C24H31N3O3/c1-29-21-9-5-7-19(17-21)24(28)27-12-6-8-20(18-27)25-13-15-26(16-14-25)22-10-3-4-11-23(22)30-2/h3-5,7,9-11,17,20H,6,8,12-16,18H2,1-2H3
• InChIKey: QUEWJXKDQHAVQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-(3-methoxybenzoyl)piperidin-3-yl]-4-(2-methoxyphenyl)piperazine
• IUPAC Traditional name: 1-[1-(3-methoxybenzoyl)piperidin-3-yl]-4-(2-methoxyphenyl)piperazine
• Synonyms: 1-[1-(3-methoxybenzoyl)-3-piperidinyl]-4-(2-methoxyphenyl)piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.3837006
• LogD (pH = 7.4): 2.9262128
• Log P: 3.1783445
• Molar Refractivity: 119.6351 cm^3
• Polarizability: 45.573174 Å^3
• Polar Surface Area: 45.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.91
• LOG S: -3.42
• Polar Surface Area: 45.25 Å^2
• Rotatable Bonds: 3