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6-methyl-3-({4-[3-(morpholin-4-yl)-3-oxopropyl]piperidin-1-yl}methyl)-4H-chromen-4-one

ChemBase ID: 340678
Molecular Formular: C23H30N2O4
Molecular Mass: 398.4953
Monoisotopic Mass: 398.22055745
SMILES and InChIs

SMILES:
c1(c(=O)c2c(oc1)ccc(c2)C)CN1CCC(CCC(=O)N2CCOCC2)CC1
Canonical SMILES:
Cc1ccc2c(c1)c(=O)c(co2)CN1CCC(CC1)CCC(=O)N1CCOCC1
InChI:
InChI=1S/C23H30N2O4/c1-17-2-4-21-20(14-17)23(27)19(16-29-21)15-24-8-6-18(7-9-24)3-5-22(26)25-10-12-28-13-11-25/h2,4,14,16,18H,3,5-13,15H2,1H3
InChIKey:
BZGRNGYPEUEION-UHFFFAOYSA-N

Cite this record

CBID:340678 http://www.chembase.cn/molecule-340678.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-methyl-3-({4-[3-(morpholin-4-yl)-3-oxopropyl]piperidin-1-yl}methyl)-4H-chromen-4-one
IUPAC Traditional name
6-methyl-3-({4-[3-(morpholin-4-yl)-3-oxopropyl]piperidin-1-yl}methyl)chromen-4-one
Synonyms
6-methyl-3-({4-[3-(4-morpholinyl)-3-oxopropyl]-1-piperidinyl}methyl)-4H-chromen-4-one

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) -0.0039222846  LogD (pH = 7.4) 1.6881214 
Log P 2.1346176  Molar Refractivity 112.436 cm3
Polarizability 43.287663 Å3 Polar Surface Area 59.08 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.92  LOG S -1.89 
Polar Surface Area 62.99 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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