2-({2-[(1-cyclopentylpiperidin-4-yl)oxy]-5-methoxyphenyl}formamido)acetamide

• ChemBase ID: 519713
• Molecular Formular: C20H29N3O4
• Molecular Mass: 375.46196
• Monoisotopic Mass: 375.21580642
• SMILES: c1(C(=O)NCC(=O)N)c(OC2CCN(CC2)C2CCCC2)ccc(c1)OC
• Canonical SMILES: COc1ccc(c(c1)C(=O)NCC(=O)N)OC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C20H29N3O4/c1-26-16-6-7-18(17(12-16)20(25)22-13-19(21)24)27-15-8-10-23(11-9-15)14-4-2-3-5-14/h6-7,12,14-15H,2-5,8-11,13H2,1H3,(H2,21,24)(H,22,25)
• InChIKey: USYADHLFWJOPDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-({2-[(1-cyclopentylpiperidin-4-yl)oxy]-5-methoxyphenyl}formamido)acetamide
• IUPAC Traditional name: 2-({2-[(1-cyclopentylpiperidin-4-yl)oxy]-5-methoxyphenyl}formamido)acetamide
• Synonyms: N-(2-amino-2-oxoethyl)-2-[(1-cyclopentyl-4-piperidinyl)oxy]-5-methoxybenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.653084
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -2.5881414
• LogD (pH = 7.4): -1.2676908
• Log P: 0.78476834
• Molar Refractivity: 102.7306 cm^3
• Polarizability: 39.75433 Å^3
• Polar Surface Area: 93.89 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.17
• LOG S: -2.32
• Polar Surface Area: 93.89 Å^2
• Rotatable Bonds: 6