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1-{3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl}-3-(1,2-oxazolidin-2-yl)propan-1-one

ChemBase ID: 320152
Molecular Formular: C21H31FN4O2
Molecular Mass: 390.4948432
Monoisotopic Mass: 390.24310447
SMILES and InChIs

SMILES:
N1(C(=O)CCN2OCCC2)CC(N2CCN(c3c(F)cccc3)CC2)CCC1
Canonical SMILES:
O=C(N1CCCC(C1)N1CCN(CC1)c1ccccc1F)CCN1CCCO1
InChI:
InChI=1S/C21H31FN4O2/c22-19-6-1-2-7-20(19)24-14-12-23(13-15-24)18-5-3-9-25(17-18)21(27)8-11-26-10-4-16-28-26/h1-2,6-7,18H,3-5,8-17H2
InChIKey:
DGOQPXPMWVDXJC-UHFFFAOYSA-N

Cite this record

CBID:320152 http://www.chembase.cn/molecule-320152.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-{3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl}-3-(1,2-oxazolidin-2-yl)propan-1-one
IUPAC Traditional name
1-{3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl}-3-(1,2-oxazolidin-2-yl)propan-1-one
Synonyms
1-(2-fluorophenyl)-4-{1-[3-(2-isoxazolidinyl)propanoyl]-3-piperidinyl}piperazine

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)
H Acceptors H Donor
LogD (pH = 5.5) -0.26742178  LogD (pH = 7.4) 1.2086561 
Log P 1.4122256  Molar Refractivity 108.2316 cm3
Polarizability 41.530712 Å3 Polar Surface Area 39.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.03  LOG S -1.37 
Polar Surface Area 39.26 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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