NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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3-[(4-acetylpiperazin-1-yl)methyl]-3-hydroxy-1-{[4-(propan-2-yl)phenyl]methyl}piperidin-2-one
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IUPAC Traditional name
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3-[(4-acetylpiperazin-1-yl)methyl]-3-hydroxy-1-[(4-isopropylphenyl)methyl]piperidin-2-one
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Synonyms
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3-[(4-acetylpiperazin-1-yl)methyl]-3-hydroxy-1-(4-isopropylbenzyl)piperidin-2-one
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
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12.441083
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H Acceptors
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4
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H Donor
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1
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LogD (pH = 5.5)
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-0.55705106
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LogD (pH = 7.4)
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1.0452833
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Log P
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1.3556682
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Molar Refractivity
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110.3563 cm3
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Polarizability
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42.818455 Å3
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Polar Surface Area
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64.09 Å2
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Rotatable Bonds
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5
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Lipinski's Rule of Five
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true
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H Acceptors
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4
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H Donor
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1
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Log P
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1.95
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LOG S
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-3.69
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Polar Surface Area
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64.09 Å2
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Rotatable Bonds
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5
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent