N-[1-({4-[2-(morpholin-4-yl)-2-oxoethoxy]phenyl}methyl)piperidin-4-yl]acetamide

• ChemBase ID: 816683
• Molecular Formular: C20H29N3O4
• Molecular Mass: 375.46196
• Monoisotopic Mass: 375.21580642
• SMILES: N1(C(=O)COc2ccc(CN3CCC(NC(=O)C)CC3)cc2)CCOCC1
• Canonical SMILES: O=C(N1CCOCC1)COc1ccc(cc1)CN1CCC(CC1)NC(=O)C
• InChI: InChI=1S/C20H29N3O4/c1-16(24)21-18-6-8-22(9-7-18)14-17-2-4-19(5-3-17)27-15-20(25)23-10-12-26-13-11-23/h2-5,18H,6-15H2,1H3,(H,21,24)
• InChIKey: FERCQSFAVBZRDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-({4-[2-(morpholin-4-yl)-2-oxoethoxy]phenyl}methyl)piperidin-4-yl]acetamide
• IUPAC Traditional name: N-[1-({4-[2-(morpholin-4-yl)-2-oxoethoxy]phenyl}methyl)piperidin-4-yl]acetamide
• Synonyms: N-{1-[4-(2-morpholin-4-yl-2-oxoethoxy)benzyl]piperidin-4-yl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.597479
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.9506195
• LogD (pH = 7.4): -1.1764845
• Log P: -0.3131119
• Molar Refractivity: 102.6642 cm^3
• Polarizability: 39.97894 Å^3
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.002
• LOG S: -3.25
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 6