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1-{3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl}-3-(1,2-oxazolidin-2-yl)propan-1-one

ChemBase ID: 370334
Molecular Formular: C19H30N4O2
Molecular Mass: 346.4671
Monoisotopic Mass: 346.23687622
SMILES and InChIs

SMILES:
N1(C(=O)CCN2OCCC2)CC(N(Cc2ccncc2)CC)CCC1
Canonical SMILES:
CCN(C1CCCN(C1)C(=O)CCN1CCCO1)Cc1ccncc1
InChI:
InChI=1S/C19H30N4O2/c1-2-21(15-17-6-9-20-10-7-17)18-5-3-11-22(16-18)19(24)8-13-23-12-4-14-25-23/h6-7,9-10,18H,2-5,8,11-16H2,1H3
InChIKey:
PDZYZQHCIIYZKQ-UHFFFAOYSA-N

Cite this record

CBID:370334 http://www.chembase.cn/molecule-370334.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-{3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl}-3-(1,2-oxazolidin-2-yl)propan-1-one
IUPAC Traditional name
1-{3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl}-3-(1,2-oxazolidin-2-yl)propan-1-one
Synonyms
N-ethyl-1-[3-(2-isoxazolidinyl)propanoyl]-N-(4-pyridinylmethyl)-3-piperidinamine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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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) -2.4930077  LogD (pH = 7.4) -0.74320674 
Log P 0.39489254  Molar Refractivity 98.6709 cm3
Polarizability 38.703514 Å3 Polar Surface Area 48.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.84  LOG S 0.55 
Polar Surface Area 48.91 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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