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2-ethyl-8-(2-methylpyridin-4-yl)-2,8-diazaspiro[4.5]decan-3-one

ChemBase ID: 370155
Molecular Formular: C16H23N3O
Molecular Mass: 273.37332
Monoisotopic Mass: 273.18411237
SMILES and InChIs

SMILES:
N1(C(=O)CC2(C1)CCN(c1cc(ncc1)C)CC2)CC
Canonical SMILES:
CCN1CC2(CC1=O)CCN(CC2)c1ccnc(c1)C
InChI:
InChI=1S/C16H23N3O/c1-3-18-12-16(11-15(18)20)5-8-19(9-6-16)14-4-7-17-13(2)10-14/h4,7,10H,3,5-6,8-9,11-12H2,1-2H3
InChIKey:
LBEFFABWUWXSCA-UHFFFAOYSA-N

Cite this record

CBID:370155 http://www.chembase.cn/molecule-370155.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-ethyl-8-(2-methylpyridin-4-yl)-2,8-diazaspiro[4.5]decan-3-one
IUPAC Traditional name
2-ethyl-8-(2-methylpyridin-4-yl)-2,8-diazaspiro[4.5]decan-3-one
Synonyms
2-ethyl-8-(2-methyl-4-pyridinyl)-2,8-diazaspiro[4.5]decan-3-one

DATA SOURCES

DATA SOURCES

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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) -0.65621185  LogD (pH = 7.4) -0.46341705 
Log P 0.79177004  Molar Refractivity 80.2309 cm3
Polarizability 30.494835 Å3 Polar Surface Area 36.44 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.71  LOG S -2.65 
Polar Surface Area 36.44 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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