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883554-88-9 molecular structure
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tert-butyl 4-carbamoylpiperazine-1-carboxylate

ChemBase ID: 258083
Molecular Formular: C10H19N3O3
Molecular Mass: 229.27616
Monoisotopic Mass: 229.14264148
SMILES and InChIs

SMILES:
C(=O)(N1CCN(C(=O)N)CC1)OC(C)(C)C
Canonical SMILES:
O=C(N1CCN(CC1)C(=O)N)OC(C)(C)C
InChI:
InChI=1S/C10H19N3O3/c1-10(2,3)16-9(15)13-6-4-12(5-7-13)8(11)14/h4-7H2,1-3H3,(H2,11,14)
InChIKey:
BQAKNTNUYDSUSK-UHFFFAOYSA-N

Cite this record

CBID:258083 http://www.chembase.cn/molecule-258083.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl 4-carbamoylpiperazine-1-carboxylate
IUPAC Traditional name
tert-butyl 4-carbamoylpiperazine-1-carboxylate
Synonyms
tert-butyl 4-(aminocarbonyl)piperazine-1-carboxylate
CAS Number
883554-88-9
MDL Number
MFCD06796406
PubChem SID
164313993
PubChem CID
17750351

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-40506 external link Add to cart Please log in.
Data Source Data ID
PubChem 17750351 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.877489  H Acceptors
H Donor LogD (pH = 5.5) -0.16921705 
LogD (pH = 7.4) -0.16921704  Log P -0.16921704 
Molar Refractivity 58.6865 cm3 Polarizability 22.74907 Å3
Polar Surface Area 75.87 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
175 - 177°C expand Show data source
Hydrophobicity(logP)
0.354 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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