4-[(1-cyclopentylpiperidin-4-yl)oxy]-N-(1,4-dioxan-2-ylmethyl)-3-methoxybenzamide

• ChemBase ID: 830167
• Molecular Formular: C23H34N2O5
• Molecular Mass: 418.52646
• Monoisotopic Mass: 418.2467722
• SMILES: N1(CCC(Oc2c(cc(C(=O)NCC3OCCOC3)cc2)OC)CC1)C1CCCC1
• Canonical SMILES: COc1cc(ccc1OC1CCN(CC1)C1CCCC1)C(=O)NCC1COCCO1
• InChI: InChI=1S/C23H34N2O5/c1-27-22-14-17(23(26)24-15-20-16-28-12-13-29-20)6-7-21(22)30-19-8-10-25(11-9-19)18-4-2-3-5-18/h6-7,14,18-20H,2-5,8-13,15-16H2,1H3,(H,24,26)
• InChIKey: RAXNDUKTMUZXLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(1-cyclopentylpiperidin-4-yl)oxy]-N-(1,4-dioxan-2-ylmethyl)-3-methoxybenzamide
• IUPAC Traditional name: 4-[(1-cyclopentylpiperidin-4-yl)oxy]-N-(1,4-dioxan-2-ylmethyl)-3-methoxybenzamide
• Synonyms: 4-[(1-cyclopentyl-4-piperidinyl)oxy]-N-(1,4-dioxan-2-ylmethyl)-3-methoxybenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.667997
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -1.4548811
• LogD (pH = 7.4): -0.10821021
• Log P: 1.9080187
• Molar Refractivity: 114.612 cm^3
• Polarizability: 44.723476 Å^3
• Polar Surface Area: 69.26 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.73
• LOG S: -3.84
• Polar Surface Area: 69.26 Å^2
• Rotatable Bonds: 6