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N,N-diethyl-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
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ChemBase ID:
410265
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Molecular Formular:
C19H29N3O2
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Molecular Mass:
331.45246
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Monoisotopic Mass:
331.22597718
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SMILES and InChIs
SMILES:
C(C1C(=O)NCCN1CCCc1ccccc1)C(=O)N(CC)CC
Canonical SMILES:
CCN(C(=O)CC1N(CCCc2ccccc2)CCNC1=O)CC
InChI:
InChI=1S/C19H29N3O2/c1-3-21(4-2)18(23)15-17-19(24)20-12-14-22(17)13-8-11-16-9-6-5-7-10-16/h5-7,9-10,17H,3-4,8,11-15H2,1-2H3,(H,20,24)
InChIKey:
VCXGDCQPFUTYNW-UHFFFAOYSA-N
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Cite this record
CBID:410265 http://www.chembase.cn/molecule-410265.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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N,N-diethyl-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
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IUPAC Traditional name
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N,N-diethyl-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
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Synonyms
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N,N-diethyl-2-[3-oxo-1-(3-phenylpropyl)-2-piperazinyl]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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14.504126
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H Acceptors
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3
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H Donor
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1
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LogD (pH = 5.5)
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0.0828396
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LogD (pH = 7.4)
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1.4878429
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Log P
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1.652042
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Molar Refractivity
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96.4333 cm3
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Polarizability
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37.40626 Å3
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Polar Surface Area
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52.65 Å2
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Rotatable Bonds
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8
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Lipinski's Rule of Five
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true
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H Acceptors
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3
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H Donor
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1
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Log P
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1.18
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LOG S
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-2.62
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Polar Surface Area
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52.65 Å2
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Rotatable Bonds
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8
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent