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N-[(1-methylpiperidin-3-yl)methyl]-3-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)propanamide

ChemBase ID: 321493
Molecular Formular: C22H33N3O2
Molecular Mass: 371.51632
Monoisotopic Mass: 371.25727731
SMILES and InChIs

SMILES:
N1(C(=O)CCC1)CCC(=O)N(CC1CN(CCC1)C)CCc1ccccc1
Canonical SMILES:
CN1CCCC(C1)CN(C(=O)CCN1CCCC1=O)CCc1ccccc1
InChI:
InChI=1S/C22H33N3O2/c1-23-13-5-9-20(17-23)18-25(15-11-19-7-3-2-4-8-19)22(27)12-16-24-14-6-10-21(24)26/h2-4,7-8,20H,5-6,9-18H2,1H3
InChIKey:
LXSHJXBBUYYFRD-UHFFFAOYSA-N

Cite this record

CBID:321493 http://www.chembase.cn/molecule-321493.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[(1-methylpiperidin-3-yl)methyl]-3-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)propanamide
IUPAC Traditional name
N-[(1-methylpiperidin-3-yl)methyl]-3-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)propanamide
Synonyms
N-[(1-methyl-3-piperidinyl)methyl]-3-(2-oxo-1-pyrrolidinyl)-N-(2-phenylethyl)propanamide

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) -1.563782  LogD (pH = 7.4) 0.10118321 
Log P 1.5415703  Molar Refractivity 109.0921 cm3
Polarizability 42.27966 Å3 Polar Surface Area 43.86 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.08  LOG S -1.41 
Polar Surface Area 43.86 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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