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N-(3-methoxyphenyl)-3-{1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl}propanamide
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ChemBase ID:
341483
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Molecular Formular:
C19H26N4O3
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Molecular Mass:
358.43474
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Monoisotopic Mass:
358.20049071
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SMILES and InChIs
SMILES:
c1(nnc(o1)C)CN1CCC(CCC(=O)Nc2cc(OC)ccc2)CC1
Canonical SMILES:
COc1cccc(c1)NC(=O)CCC1CCN(CC1)Cc1nnc(o1)C
InChI:
InChI=1S/C19H26N4O3/c1-14-21-22-19(26-14)13-23-10-8-15(9-11-23)6-7-18(24)20-16-4-3-5-17(12-16)25-2/h3-5,12,15H,6-11,13H2,1-2H3,(H,20,24)
InChIKey:
GBECPTBFXCSZMH-UHFFFAOYSA-N
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Cite this record
CBID:341483 http://www.chembase.cn/molecule-341483.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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N-(3-methoxyphenyl)-3-{1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl}propanamide
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IUPAC Traditional name
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N-(3-methoxyphenyl)-3-{1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl}propanamide
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Synonyms
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N-(3-methoxyphenyl)-3-{1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl}propanamide
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
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13.785154
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H Acceptors
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5
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H Donor
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1
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LogD (pH = 5.5)
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-0.7483621
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LogD (pH = 7.4)
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0.8096284
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Log P
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1.0752249
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Molar Refractivity
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101.5925 cm3
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Polarizability
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37.897125 Å3
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Polar Surface Area
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80.49 Å2
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Rotatable Bonds
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7
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Lipinski's Rule of Five
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true
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H Acceptors
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6
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H Donor
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1
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Log P
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2.01
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LOG S
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-3.53
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Polar Surface Area
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80.49 Å2
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Rotatable Bonds
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7
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent