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1-cyclopentyl-4-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]piperazin-2-one

ChemBase ID: 322219
Molecular Formular: C20H26N2O2
Molecular Mass: 326.43264
Monoisotopic Mass: 326.19942808
SMILES and InChIs

SMILES:
N1(C(=O)CN(C(=O)CC2c3c(CC2)cccc3)CC1)C1CCCC1
Canonical SMILES:
O=C(N1CCN(C(=O)C1)C1CCCC1)CC1CCc2c1cccc2
InChI:
InChI=1S/C20H26N2O2/c23-19(13-16-10-9-15-5-1-4-8-18(15)16)21-11-12-22(20(24)14-21)17-6-2-3-7-17/h1,4-5,8,16-17H,2-3,6-7,9-14H2
InChIKey:
VJOIPJKGZDFWRA-UHFFFAOYSA-N

Cite this record

CBID:322219 http://www.chembase.cn/molecule-322219.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-cyclopentyl-4-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]piperazin-2-one
IUPAC Traditional name
1-cyclopentyl-4-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]piperazin-2-one
Synonyms
1-cyclopentyl-4-(2,3-dihydro-1H-inden-1-ylacetyl)-2-piperazinone

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 19.430424  H Acceptors
H Donor LogD (pH = 5.5) 2.3342566 
LogD (pH = 7.4) 2.3342566  Log P 2.3342566 
Molar Refractivity 93.5142 cm3 Polarizability 36.260292 Å3
Polar Surface Area 40.62 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.85  LOG S -4.01 
Polar Surface Area 40.62 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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