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2-{3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl}-N-methylacetamide

ChemBase ID: 866191
Molecular Formular: C19H30N4O2
Molecular Mass: 346.4671
Monoisotopic Mass: 346.23687622
SMILES and InChIs

SMILES:
N1(c2c(OC)cccc2)CCN(C2CN(CC(=O)NC)CCC2)CC1
Canonical SMILES:
CNC(=O)CN1CCCC(C1)N1CCN(CC1)c1ccccc1OC
InChI:
InChI=1S/C19H30N4O2/c1-20-19(24)15-21-9-5-6-16(14-21)22-10-12-23(13-11-22)17-7-3-4-8-18(17)25-2/h3-4,7-8,16H,5-6,9-15H2,1-2H3,(H,20,24)
InChIKey:
COGKIEKTOOWMJY-UHFFFAOYSA-N

Cite this record

CBID:866191 http://www.chembase.cn/molecule-866191.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-{3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl}-N-methylacetamide
IUPAC Traditional name
2-{3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl}-N-methylacetamide
Synonyms
2-{3-[4-(2-methoxyphenyl)-1-piperazinyl]-1-piperidinyl}-N-methylacetamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 66813115 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)
Acid pKa 15.889214  H Acceptors
H Donor LogD (pH = 5.5) -1.4041619 
LogD (pH = 7.4) 0.38996574  Log P 1.1496638 
Molar Refractivity 101.0337 cm3 Polarizability 38.88926 Å3
Polar Surface Area 48.05 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.43  LOG S -2.95 
Polar Surface Area 48.05 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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