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4-{1-[6-(pyridin-4-yl)pyridine-3-carbonyl]piperidin-4-yl}morpholine

ChemBase ID: 470745
Molecular Formular: C20H24N4O2
Molecular Mass: 352.43016
Monoisotopic Mass: 352.18992603
SMILES and InChIs

SMILES:
C(=O)(N1CCC(N2CCOCC2)CC1)c1cnc(cc1)c1ccncc1
Canonical SMILES:
O=C(c1ccc(nc1)c1ccncc1)N1CCC(CC1)N1CCOCC1
InChI:
InChI=1S/C20H24N4O2/c25-20(17-1-2-19(22-15-17)16-3-7-21-8-4-16)24-9-5-18(6-10-24)23-11-13-26-14-12-23/h1-4,7-8,15,18H,5-6,9-14H2
InChIKey:
OMLRFEKANGAIGA-UHFFFAOYSA-N

Cite this record

CBID:470745 http://www.chembase.cn/molecule-470745.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-{1-[6-(pyridin-4-yl)pyridine-3-carbonyl]piperidin-4-yl}morpholine
IUPAC Traditional name
4-{1-[6-(pyridin-4-yl)pyridine-3-carbonyl]piperidin-4-yl}morpholine
Synonyms
5-[(4-morpholin-4-ylpiperidin-1-yl)carbonyl]-2,4'-bipyridine

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)
H Acceptors H Donor
LogD (pH = 5.5) -1.2041258  LogD (pH = 7.4) 0.39117336 
Log P 0.67727476  Molar Refractivity 99.9058 cm3
Polarizability 39.65343 Å3 Polar Surface Area 58.56 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -0.38  LOG S -2.75 
Polar Surface Area 58.56 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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