NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
3-{2-[4-(1-ethyl-1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl}-4-(propan-2-yl)piperazin-2-one
|
|
|
IUPAC Traditional name
|
3-{2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl}-4-isopropylpiperazin-2-one
|
|
|
Synonyms
|
3-{2-[4-(1-ethyl-1H-imidazol-2-yl)-1-piperidinyl]-2-oxoethyl}-4-isopropyl-2-piperazinone
|
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
|
14.131203
|
H Acceptors
|
4
|
H Donor
|
1
|
LogD (pH = 5.5)
|
-2.055522
|
LogD (pH = 7.4)
|
-0.05950232
|
Log P
|
0.10888702
|
Molar Refractivity
|
100.9719 cm3
|
Polarizability
|
39.02467 Å3
|
Polar Surface Area
|
70.47 Å2
|
Rotatable Bonds
|
5
|
Lipinski's Rule of Five
|
true
|
H Acceptors
|
4
|
H Donor
|
1
|
Log P
|
-0.36
|
LOG S
|
-2.84
|
Polar Surface Area
|
70.47 Å2
|
Rotatable Bonds
|
5
|
PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent