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6-methyl-1-(3-oxo-3-{2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl}propyl)-1,2-dihydropyridin-2-one

ChemBase ID: 340401
Molecular Formular: C20H29N3O3
Molecular Mass: 359.46256
Monoisotopic Mass: 359.2208918
SMILES and InChIs

SMILES:
n1(c(=O)cccc1C)CCC(=O)N1C(CCN2C(=O)CCC2)CCCC1
Canonical SMILES:
O=C(N1CCCCC1CCN1CCCC1=O)CCn1c(C)cccc1=O
InChI:
InChI=1S/C20H29N3O3/c1-16-6-4-8-19(25)22(16)15-11-20(26)23-13-3-2-7-17(23)10-14-21-12-5-9-18(21)24/h4,6,8,17H,2-3,5,7,9-15H2,1H3
InChIKey:
MTSPOOUCFWNUHW-UHFFFAOYSA-N

Cite this record

CBID:340401 http://www.chembase.cn/molecule-340401.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-methyl-1-(3-oxo-3-{2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl}propyl)-1,2-dihydropyridin-2-one
IUPAC Traditional name
6-methyl-1-(3-oxo-3-{2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl}propyl)pyridin-2-one
Synonyms
6-methyl-1-(3-oxo-3-{2-[2-(2-oxo-1-pyrrolidinyl)ethyl]-1-piperidinyl}propyl)-2(1H)-pyridinone

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 0.24065061  LogD (pH = 7.4) 0.240651 
Log P 0.240651  Molar Refractivity 103.0239 cm3
Polarizability 38.5362 Å3 Polar Surface Area 60.93 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.86  LOG S -2.56 
Polar Surface Area 62.62 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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