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609781-33-1 molecular structure
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tert-butyl 4-(4-carbamoylphenoxy)piperidine-1-carboxylate

ChemBase ID: 294933
Molecular Formular: C17H24N2O4
Molecular Mass: 320.38346
Monoisotopic Mass: 320.17360726
SMILES and InChIs

SMILES:
O=C(N1CCC(Oc2ccc(C(=O)N)cc2)CC1)OC(C)(C)C
Canonical SMILES:
O=C(N1CCC(CC1)Oc1ccc(cc1)C(=O)N)OC(C)(C)C
InChI:
InChI=1S/C17H24N2O4/c1-17(2,3)23-16(21)19-10-8-14(9-11-19)22-13-6-4-12(5-7-13)15(18)20/h4-7,14H,8-11H2,1-3H3,(H2,18,20)
InChIKey:
PMEPMWIIELZLHZ-UHFFFAOYSA-N

Cite this record

CBID:294933 http://www.chembase.cn/molecule-294933.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl 4-(4-carbamoylphenoxy)piperidine-1-carboxylate
IUPAC Traditional name
tert-butyl 4-(4-carbamoylphenoxy)piperidine-1-carboxylate
Synonyms
tert-Butyl 4-(4-carbamoylphenoxy)piperidine-1-carboxylate
CAS Number
609781-33-1
MDL Number
MFCD24470001
PubChem SID
180680464
PubChem CID
23068080

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD264721 Please log in.
Data Source Data ID
PubChem 23068080 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.6122055  H Acceptors
H Donor LogD (pH = 5.5) 1.5931653 
LogD (pH = 7.4) 1.5931661  Log P 1.5931661 
Molar Refractivity 86.7511 cm3 Polarizability 33.45287 Å3
Polar Surface Area 81.86 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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