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2-[4-(1-butyl-1H-imidazol-2-yl)piperidin-1-yl]-N-ethylacetamide

ChemBase ID: 340829
Molecular Formular: C16H28N4O
Molecular Mass: 292.41972
Monoisotopic Mass: 292.22631154
SMILES and InChIs

SMILES:
c1(n(ccn1)CCCC)C1CCN(CC(=O)NCC)CC1
Canonical SMILES:
CCCCn1ccnc1C1CCN(CC1)CC(=O)NCC
InChI:
InChI=1S/C16H28N4O/c1-3-5-9-20-12-8-18-16(20)14-6-10-19(11-7-14)13-15(21)17-4-2/h8,12,14H,3-7,9-11,13H2,1-2H3,(H,17,21)
InChIKey:
QIXPJLBSAVOYQJ-UHFFFAOYSA-N

Cite this record

CBID:340829 http://www.chembase.cn/molecule-340829.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[4-(1-butyl-1H-imidazol-2-yl)piperidin-1-yl]-N-ethylacetamide
IUPAC Traditional name
2-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-N-ethylacetamide
Synonyms
2-[4-(1-butyl-1H-imidazol-2-yl)-1-piperidinyl]-N-ethylacetamide

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 15.5265045  H Acceptors
H Donor LogD (pH = 5.5) -1.4764341 
LogD (pH = 7.4) 0.8522203  Log P 1.2635661 
Molar Refractivity 85.5022 cm3 Polarizability 32.92851 Å3
Polar Surface Area 50.16 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.97  LOG S -3.02 
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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