1-(1-benzoylpiperidin-3-yl)-4-(2-methoxyphenyl)piperazine

• ChemBase ID: 406103
• Molecular Formular: C23H29N3O2
• Molecular Mass: 379.49526
• Monoisotopic Mass: 379.22597718
• SMILES: N1(C(=O)c2ccccc2)CC(N2CCN(c3c(OC)cccc3)CC2)CCC1
• Canonical SMILES: COc1ccccc1N1CCN(CC1)C1CCCN(C1)C(=O)c1ccccc1
• InChI: InChI=1S/C23H29N3O2/c1-28-22-12-6-5-11-21(22)25-16-14-24(15-17-25)20-10-7-13-26(18-20)23(27)19-8-3-2-4-9-19/h2-6,8-9,11-12,20H,7,10,13-18H2,1H3
• InChIKey: WSTKPSMCTZWVFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-benzoylpiperidin-3-yl)-4-(2-methoxyphenyl)piperazine
• IUPAC Traditional name: 1-(1-benzoylpiperidin-3-yl)-4-(2-methoxyphenyl)piperazine
• Synonyms: 1-(1-benzoyl-3-piperidinyl)-4-(2-methoxyphenyl)piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.5151058
• LogD (pH = 7.4): 3.0716865
• Log P: 3.336016
• Molar Refractivity: 113.1719 cm^3
• Polarizability: 43.06029 Å^3
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.54
• LOG S: -3.64
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 3