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162104878 molecular structure
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tert-butyl (3R)-3-[2-(dimethylamino)acetamido]piperidine-1-carboxylate

ChemBase ID: 91349
Molecular Formular: C14H27N3O3
Molecular Mass: 285.38248
Monoisotopic Mass: 285.20524174
SMILES and InChIs

SMILES:
N1(C[C@@H](CCC1)NC(=O)CN(C)C)C(=O)OC(C)(C)C
Canonical SMILES:
CN(CC(=O)N[C@@H]1CCCN(C1)C(=O)OC(C)(C)C)C
InChI:
InChI=1S/C14H27N3O3/c1-14(2,3)20-13(19)17-8-6-7-11(9-17)15-12(18)10-16(4)5/h11H,6-10H2,1-5H3,(H,15,18)/t11-/m1/s1
InChIKey:
SOYNWULUYQZNKB-LLVKDONJSA-N

Cite this record

CBID:91349 http://www.chembase.cn/molecule-91349.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl (3R)-3-[2-(dimethylamino)acetamido]piperidine-1-carboxylate
IUPAC Traditional name
tert-butyl (3R)-3-[2-(dimethylamino)acetamido]piperidine-1-carboxylate
Synonyms
(3S)-1-(tert-Butoxycarbonyl)-3-[2-(dimethylamino)acetamido]piperidine
(3S)-3-[2-(Dimethylamino)acetamido]piperidine, N1-BOC protected
tert-Butyl (3S)-3-[2-(Dimethylamino)(acetylamino)]piperidine-1-carboxylate
PubChem SID
162104878
PubChem CID
53256455

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR70123 external link Add to cart Please log in.
Data Source Data ID
PubChem 53256455 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.584813  H Acceptors
H Donor LogD (pH = 5.5) -1.5233688 
LogD (pH = 7.4) 0.11448443  Log P 0.4692404 
Molar Refractivity 77.7223 cm3 Polarizability 30.446735 Å3
Polar Surface Area 61.88 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Harmful expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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