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methyl 3-({[1-(2-methoxyethyl)piperidin-4-yl]methyl}(oxolan-2-ylmethyl)carbamoyl)propanoate

ChemBase ID: 323278
Molecular Formular: C19H34N2O5
Molecular Mass: 370.48366
Monoisotopic Mass: 370.2467722
SMILES and InChIs

SMILES:
N(C(=O)CCC(=O)OC)(CC1OCCC1)CC1CCN(CC1)CCOC
Canonical SMILES:
COCCN1CCC(CC1)CN(C(=O)CCC(=O)OC)CC1CCCO1
InChI:
InChI=1S/C19H34N2O5/c1-24-13-11-20-9-7-16(8-10-20)14-21(15-17-4-3-12-26-17)18(22)5-6-19(23)25-2/h16-17H,3-15H2,1-2H3
InChIKey:
BAICDKHZGFJABR-UHFFFAOYSA-N

Cite this record

CBID:323278 http://www.chembase.cn/molecule-323278.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 3-({[1-(2-methoxyethyl)piperidin-4-yl]methyl}(oxolan-2-ylmethyl)carbamoyl)propanoate
IUPAC Traditional name
methyl 3-({[1-(2-methoxyethyl)piperidin-4-yl]methyl}(oxolan-2-ylmethyl)carbamoyl)propanoate
Synonyms
methyl 4-[{[1-(2-methoxyethyl)-4-piperidinyl]methyl}(tetrahydro-2-furanylmethyl)amino]-4-oxobutanoate

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) -2.8589232  LogD (pH = 7.4) -1.1942048 
Log P 0.246841  Molar Refractivity 99.489 cm3
Polarizability 39.189964 Å3 Polar Surface Area 68.31 Å2
Rotatable Bonds 11  Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.57  LOG S -0.98 
Polar Surface Area 68.31 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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