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4-(1-ethyl-1H-imidazol-2-yl)-N-(2-fluorophenyl)piperidine-1-carboxamide

ChemBase ID: 410057
Molecular Formular: C17H21FN4O
Molecular Mass: 316.3732432
Monoisotopic Mass: 316.16993953
SMILES and InChIs

SMILES:
C(=O)(N1CCC(c2n(ccn2)CC)CC1)Nc1c(F)cccc1
Canonical SMILES:
CCn1ccnc1C1CCN(CC1)C(=O)Nc1ccccc1F
InChI:
InChI=1S/C17H21FN4O/c1-2-21-12-9-19-16(21)13-7-10-22(11-8-13)17(23)20-15-6-4-3-5-14(15)18/h3-6,9,12-13H,2,7-8,10-11H2,1H3,(H,20,23)
InChIKey:
GKPNVTATXDESMB-UHFFFAOYSA-N

Cite this record

CBID:410057 http://www.chembase.cn/molecule-410057.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(1-ethyl-1H-imidazol-2-yl)-N-(2-fluorophenyl)piperidine-1-carboxamide
IUPAC Traditional name
4-(1-ethylimidazol-2-yl)-N-(2-fluorophenyl)piperidine-1-carboxamide
Synonyms
4-(1-ethyl-1H-imidazol-2-yl)-N-(2-fluorophenyl)-1-piperidinecarboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 11.4285965  H Acceptors
H Donor LogD (pH = 5.5) 1.6397389 
LogD (pH = 7.4) 2.2914062  Log P 2.3222456 
Molar Refractivity 88.4445 cm3 Polarizability 32.670147 Å3
Polar Surface Area 50.16 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.55  LOG S -2.83 
Polar Surface Area 50.16 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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