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N-[2-(4-phenylpiperidin-1-yl)ethyl]morpholine-2-carboxamide

ChemBase ID: 321199
Molecular Formular: C18H27N3O2
Molecular Mass: 317.42588
Monoisotopic Mass: 317.21032712
SMILES and InChIs

SMILES:
C(=O)(C1OCCNC1)NCCN1CCC(CC1)c1ccccc1
Canonical SMILES:
O=C(C1OCCNC1)NCCN1CCC(CC1)c1ccccc1
InChI:
InChI=1S/C18H27N3O2/c22-18(17-14-19-9-13-23-17)20-8-12-21-10-6-16(7-11-21)15-4-2-1-3-5-15/h1-5,16-17,19H,6-14H2,(H,20,22)
InChIKey:
LFELBACXVUQBCE-UHFFFAOYSA-N

Cite this record

CBID:321199 http://www.chembase.cn/molecule-321199.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[2-(4-phenylpiperidin-1-yl)ethyl]morpholine-2-carboxamide
IUPAC Traditional name
N-[2-(4-phenylpiperidin-1-yl)ethyl]morpholine-2-carboxamide
Synonyms
N-[2-(4-phenylpiperidin-1-yl)ethyl]morpholine-2-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 11112883 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 15.422299  H Acceptors
H Donor LogD (pH = 5.5) -3.7936628 
LogD (pH = 7.4) -0.32403362  Log P 0.98512787 
Molar Refractivity 91.1214 cm3 Polarizability 35.84569 Å3
Polar Surface Area 53.6 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.12  LOG S -2.93 
Polar Surface Area 53.6 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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