ethyl (2S)-2-[(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propanoate

C14H23N3O3 — CID 124628859

IUPACethyl (2S)-2-[(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propanoate
SMILESCCOC(=O)[C@H](C)N1CCC[C@H](Cc2noc(C)n2)C1
InChIInChI=1S/C14H23N3O3/c1-4-19-14(18)10(2)17-7-5-6-12(9-17)8-13-15-11(3)20-16-13/h10,12H,4-9H2,1-3H3/t10-,12+/m0/s1
InChIKeyONZDWZUWZUOBGN-CMPLNLGQSA-N
MW281.36 g/mol
LogP1.58
Rot. Bonds5

About ethyl (2S)-2-[(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propanoate

ethyl (2S)-2-[(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propanoate (PubChem CID 124628859) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is ethyl (2S)-2-[(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propanoate.

Molecular Properties

Compound Nameethyl (2S)-2-[(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propanoate
PubChem CID124628859
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Nameethyl (2S)-2-[(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propanoate
SMILESCCOC(=O)[C@H](C)N1CCC[C@H](Cc2noc(C)n2)C1
InChIInChI=1S/C14H23N3O3/c1-4-19-14(18)10(2)17-7-5-6-12(9-17)8-13-15-11(3)20-16-13/h10,12H,4-9H2,1-3H3/t10-,12+/m0/s1
InChIKeyONZDWZUWZUOBGN-CMPLNLGQSA-N
XLogP1.58
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl (2S)-2-[(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propanoate with MolForge

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Related Compounds

4-amino-1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pentan-1-one
CID 120562335
(2S)-2-amino-3,3-dimethyl-1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]butan-1-one;hydrochloride
CID 119775634
ethyl 6-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyridine-2-carboxylate
CID 75499064
ethyl 2-[3-(3-ethoxy-3-oxopropyl)piperidin-1-yl]propanoate
CID 70373350
(2R)-N,N-dimethyl-2-[(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]sulfonylpropanamide
CID 124829296
2-methyl-3-(methylamino)-1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propan-1-one;hydrochloride
CID 119775640
2-(1-aminocyclobutyl)-1-[(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethanone
CID 124697978
(2S)-2-amino-1-[(3S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-4-methylsulfanylbutan-1-one
CID 124594397
ethyl 2-(3-methylpiperidin-1-yl)propanoate
CID 25219169
2-[3-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081479
[(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-4-yl)methanone
CID 124626357
(2S)-2-hydroxy-1-[(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 124737577

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propanoate?
The IUPAC name of ethyl (2S)-2-[(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propanoate (CID 124628859) is ethyl (2S)-2-[(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propanoate.
What is the SMILES notation for ethyl (2S)-2-[(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propanoate?
The canonical SMILES for ethyl (2S)-2-[(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propanoate is CCOC(=O)[C@H](C)N1CCC[C@H](Cc2noc(C)n2)C1.
What is the InChIKey of ethyl (2S)-2-[(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propanoate?
The InChIKey is ONZDWZUWZUOBGN-CMPLNLGQSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-4-19-14(18)10(2)17-7-5-6-12(9-17)8-13-15-11(3)20-16-13/h10,12H,4-9H2,1-3H3/t10-,12+/m0/s1.
What are the key properties of ethyl (2S)-2-[(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propanoate?
ethyl (2S)-2-[(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propanoate has a molecular weight of 281.36 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propanoate is sourced from PubChem (CID 124628859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).