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8-(1-acetylpiperidine-4-carbonyl)-2-butyl-2,8-diazaspiro[5.5]undecan-3-one

ChemBase ID: 470205
Molecular Formular: C21H35N3O3
Molecular Mass: 377.5209
Monoisotopic Mass: 377.267842
SMILES and InChIs

SMILES:
N1(C(=O)C2CCN(C(=O)C)CC2)CC2(CN(C(=O)CC2)CCCC)CCC1
Canonical SMILES:
CCCCN1CC2(CCCN(C2)C(=O)C2CCN(CC2)C(=O)C)CCC1=O
InChI:
InChI=1S/C21H35N3O3/c1-3-4-11-23-15-21(10-6-19(23)26)9-5-12-24(16-21)20(27)18-7-13-22(14-8-18)17(2)25/h18H,3-16H2,1-2H3
InChIKey:
RNIPRDBLGYJFKI-UHFFFAOYSA-N

Cite this record

CBID:470205 http://www.chembase.cn/molecule-470205.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
8-(1-acetylpiperidine-4-carbonyl)-2-butyl-2,8-diazaspiro[5.5]undecan-3-one
IUPAC Traditional name
8-(1-acetylpiperidine-4-carbonyl)-2-butyl-2,8-diazaspiro[5.5]undecan-3-one
Synonyms
8-[(1-acetylpiperidin-4-yl)carbonyl]-2-butyl-2,8-diazaspiro[5.5]undecan-3-one

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 33915543 external link Add to cart
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) 0.4949311  LogD (pH = 7.4) 0.49493375 
Log P 0.49493378  Molar Refractivity 105.1385 cm3
Polarizability 40.8626 Å3 Polar Surface Area 60.93 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.65  LOG S -3.36 
Polar Surface Area 60.93 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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