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1-(4-benzylpiperazin-1-yl)-3-(1-propylpiperidin-3-yl)propan-1-one

ChemBase ID: 450203
Molecular Formular: C22H35N3O
Molecular Mass: 357.5328
Monoisotopic Mass: 357.27801276
SMILES and InChIs

SMILES:
N1(C(=O)CCC2CN(CCC2)CCC)CCN(Cc2ccccc2)CC1
Canonical SMILES:
CCCN1CCCC(C1)CCC(=O)N1CCN(CC1)Cc1ccccc1
InChI:
InChI=1S/C22H35N3O/c1-2-12-23-13-6-9-21(19-23)10-11-22(26)25-16-14-24(15-17-25)18-20-7-4-3-5-8-20/h3-5,7-8,21H,2,6,9-19H2,1H3
InChIKey:
DLKIOSKZLUWQIN-UHFFFAOYSA-N

Cite this record

CBID:450203 http://www.chembase.cn/molecule-450203.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(4-benzylpiperazin-1-yl)-3-(1-propylpiperidin-3-yl)propan-1-one
IUPAC Traditional name
1-(4-benzylpiperazin-1-yl)-3-(1-propylpiperidin-3-yl)propan-1-one
Synonyms
1-benzyl-4-[3-(1-propyl-3-piperidinyl)propanoyl]piperazine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 30691600 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) -1.962823  LogD (pH = 7.4) 0.64603615 
Log P 3.0657365  Molar Refractivity 109.02 cm3
Polarizability 42.62092 Å3 Polar Surface Area 26.79 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.73  LOG S -1.83 
Polar Surface Area 26.79 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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