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N-[4-(2-fluorophenoxy)phenyl]-1-(5-methylpyrazine-2-carbonyl)piperidine-2-carboxamide

ChemBase ID: 340629
Molecular Formular: C24H23FN4O3
Molecular Mass: 434.4628232
Monoisotopic Mass: 434.17541884
SMILES and InChIs

SMILES:
N1(C(=O)c2ncc(nc2)C)C(C(=O)Nc2ccc(Oc3c(F)cccc3)cc2)CCCC1
Canonical SMILES:
O=C(C1CCCCN1C(=O)c1cnc(cn1)C)Nc1ccc(cc1)Oc1ccccc1F
InChI:
InChI=1S/C24H23FN4O3/c1-16-14-27-20(15-26-16)24(31)29-13-5-4-7-21(29)23(30)28-17-9-11-18(12-10-17)32-22-8-3-2-6-19(22)25/h2-3,6,8-12,14-15,21H,4-5,7,13H2,1H3,(H,28,30)
InChIKey:
MYRJUWUQWSTKHQ-UHFFFAOYSA-N

Cite this record

CBID:340629 http://www.chembase.cn/molecule-340629.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[4-(2-fluorophenoxy)phenyl]-1-(5-methylpyrazine-2-carbonyl)piperidine-2-carboxamide
IUPAC Traditional name
N-[4-(2-fluorophenoxy)phenyl]-1-(5-methylpyrazine-2-carbonyl)piperidine-2-carboxamide
Synonyms
N-[4-(2-fluorophenoxy)phenyl]-1-[(5-methyl-2-pyrazinyl)carbonyl]-2-piperidinecarboxamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 13904967 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 13.6445675  H Acceptors
H Donor LogD (pH = 5.5) 2.970709 
LogD (pH = 7.4) 2.9707103  Log P 2.9707105 
Molar Refractivity 117.5419 cm3 Polarizability 44.27214 Å3
Polar Surface Area 84.42 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.51  LOG S -6.1 
Polar Surface Area 84.42 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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