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162104798 molecular structure
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N-[(3S)-piperidin-3-yl]propanamide hydrochloride

ChemBase ID: 90698
Molecular Formular: C8H17ClN2O
Molecular Mass: 192.68638
Monoisotopic Mass: 192.10294085
SMILES and InChIs

SMILES:
N1CCC[C@@H](C1)NC(=O)CC.Cl
Canonical SMILES:
CCC(=O)N[C@H]1CCCNC1.Cl
InChI:
InChI=1S/C8H16N2O.ClH/c1-2-8(11)10-7-4-3-5-9-6-7;/h7,9H,2-6H2,1H3,(H,10,11);1H/t7-;/m0./s1
InChIKey:
KROJSRLGGQJBPS-FJXQXJEOSA-N

Cite this record

CBID:90698 http://www.chembase.cn/molecule-90698.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[(3S)-piperidin-3-yl]propanamide hydrochloride
IUPAC Traditional name
N-[(3S)-piperidin-3-yl]propanamide hydrochloride
Synonyms
N-[(3S)-(Piperidin-3-yl)]propionamide hydrochloride
(3S)-3-(Propanoylamino)piperidine hydrochloride
(3S)-3-(Propionylamino)piperidine hydrochloride
N-[(3S)-(Piperidin-3-yl)]propanamide hydrochloride
PubChem SID
162104798
PubChem CID
53256892

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 53256892 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.11426  H Acceptors
H Donor LogD (pH = 5.5) -3.1806679 
LogD (pH = 7.4) -2.1008708  Log P -0.004915294 
Molar Refractivity 43.9251 cm3 Polarizability 17.470844 Å3
Polar Surface Area 41.13 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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INTERNET

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