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2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
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ChemBase ID:
360097
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Molecular Formular:
C21H40N4O2
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Molecular Mass:
380.5679
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Monoisotopic Mass:
380.31512654
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SMILES and InChIs
SMILES:
C(C(=O)N(C1CC(NC(C1)(C)C)(C)C)C)C1N(CC(C)(C)C)CCNC1=O
Canonical SMILES:
O=C1NCCN(C1CC(=O)N(C1CC(C)(C)NC(C1)(C)C)C)CC(C)(C)C
InChI:
InChI=1S/C21H40N4O2/c1-19(2,3)14-25-10-9-22-18(27)16(25)11-17(26)24(8)15-12-20(4,5)23-21(6,7)13-15/h15-16,23H,9-14H2,1-8H3,(H,22,27)
InChIKey:
GLGQOYVRECINIE-UHFFFAOYSA-N
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Cite this record
CBID:360097 http://www.chembase.cn/molecule-360097.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
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IUPAC Traditional name
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2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
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Synonyms
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2-[1-(2,2-dimethylpropyl)-3-oxo-2-piperazinyl]-N-methyl-N-(2,2,6,6-tetramethyl-4-piperidinyl)acetamide
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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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14.668887
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H Acceptors
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4
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H Donor
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2
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LogD (pH = 5.5)
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-3.7849956
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LogD (pH = 7.4)
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-1.8635051
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Log P
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1.1410887
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Molar Refractivity
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109.3802 cm3
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Polarizability
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43.41885 Å3
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Polar Surface Area
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64.68 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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2
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Log P
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3.1
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LOG S
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-0.75
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Polar Surface Area
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64.68 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