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N-(3-methoxyphenyl)-3-{1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl}propanamide

ChemBase ID: 341483
Molecular Formular: C19H26N4O3
Molecular Mass: 358.43474
Monoisotopic Mass: 358.20049071
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

Cite this record

CBID:341483 http://www.chembase.cn/molecule-341483.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(3-methoxyphenyl)-3-{1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl}propanamide
IUPAC Traditional name
N-(3-methoxyphenyl)-3-{1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl}propanamide
Synonyms
N-(3-methoxyphenyl)-3-{1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl}propanamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 13.785154  H Acceptors
H Donor LogD (pH = 5.5) -0.7483621 
LogD (pH = 7.4) 0.8096284  Log P 1.0752249 
Molar Refractivity 101.5925 cm3 Polarizability 37.897125 Å3
Polar Surface Area 80.49 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.01  LOG S -3.53 
Polar Surface Area 80.49 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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