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N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide

ChemBase ID: 865786
Molecular Formular: C24H34N4O2
Molecular Mass: 410.55236
Monoisotopic Mass: 410.26817635
SMILES and InChIs

SMILES:
N1(CC(C(=O)NCc2noc(c2)C)CCC1)C1CCN(CC1)CCc1ccccc1
Canonical SMILES:
O=C(C1CCCN(C1)C1CCN(CC1)CCc1ccccc1)NCc1noc(c1)C
InChI:
InChI=1S/C24H34N4O2/c1-19-16-22(26-30-19)17-25-24(29)21-8-5-12-28(18-21)23-10-14-27(15-11-23)13-9-20-6-3-2-4-7-20/h2-4,6-7,16,21,23H,5,8-15,17-18H2,1H3,(H,25,29)
InChIKey:
BJOHQNQUXZOQRK-UHFFFAOYSA-N

Cite this record

CBID:865786 http://www.chembase.cn/molecule-865786.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
IUPAC Traditional name
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
Synonyms
N-[(5-methylisoxazol-3-yl)methyl]-1'-(2-phenylethyl)-1,4'-bipiperidine-3-carboxamide

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 13.894564  H Acceptors
H Donor LogD (pH = 5.5) -3.1526198 
LogD (pH = 7.4) -0.7274391  Log P 2.2459133 
Molar Refractivity 120.4357 cm3 Polarizability 46.175163 Å3
Polar Surface Area 61.61 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.25  LOG S -4.11 
Polar Surface Area 61.61 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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