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2-(1-ethylpiperidin-4-yl)-N-[1-(thiophen-3-yl)propan-2-yl]acetamide

ChemBase ID: 320074
Molecular Formular: C16H26N2OS
Molecular Mass: 294.45544
Monoisotopic Mass: 294.17658446
SMILES and InChIs

SMILES:
C(=O)(NC(Cc1cscc1)C)CC1CCN(CC1)CC
Canonical SMILES:
CCN1CCC(CC1)CC(=O)NC(Cc1cscc1)C
InChI:
InChI=1S/C16H26N2OS/c1-3-18-7-4-14(5-8-18)11-16(19)17-13(2)10-15-6-9-20-12-15/h6,9,12-14H,3-5,7-8,10-11H2,1-2H3,(H,17,19)
InChIKey:
RURGLQUMFIVQRH-UHFFFAOYSA-N

Cite this record

CBID:320074 http://www.chembase.cn/molecule-320074.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(1-ethylpiperidin-4-yl)-N-[1-(thiophen-3-yl)propan-2-yl]acetamide
IUPAC Traditional name
2-(1-ethylpiperidin-4-yl)-N-[1-(thiophen-3-yl)propan-2-yl]acetamide
Synonyms
2-(1-ethyl-4-piperidinyl)-N-[1-methyl-2-(3-thienyl)ethyl]acetamide

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 15.957513  H Acceptors
H Donor LogD (pH = 5.5) -0.78883326 
LogD (pH = 7.4) 0.78142196  Log P 2.4355743 
Molar Refractivity 85.3048 cm3 Polarizability 33.078796 Å3
Polar Surface Area 32.34 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.55  LOG S -3.52 
Polar Surface Area 32.34 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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