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

C13H22N4O3 — CID 78982319

IUPACmethyl 3-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoate
SMILESCCc1nnc(CN2CCN(CCC(=O)OC)CC2)o1
InChIInChI=1S/C13H22N4O3/c1-3-11-14-15-12(20-11)10-17-8-6-16(7-9-17)5-4-13(18)19-2/h3-10H2,1-2H3
InChIKeyRUESPFMBUCVBMD-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.31
Rot. Bonds6

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

methyl 3-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoate (PubChem CID 78982319) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is methyl 3-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoate
PubChem CID78982319
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Namemethyl 3-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoate
SMILESCCc1nnc(CN2CCN(CCC(=O)OC)CC2)o1
InChIInChI=1S/C13H22N4O3/c1-3-11-14-15-12(20-11)10-17-8-6-16(7-9-17)5-4-13(18)19-2/h3-10H2,1-2H3
InChIKeyRUESPFMBUCVBMD-UHFFFAOYSA-N
XLogP0.31
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoate?
The IUPAC name of methyl 3-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoate (CID 78982319) is methyl 3-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoate?
The canonical SMILES for methyl 3-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoate is CCc1nnc(CN2CCN(CCC(=O)OC)CC2)o1.
What is the InChIKey of methyl 3-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoate?
The InChIKey is RUESPFMBUCVBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-3-11-14-15-12(20-11)10-17-8-6-16(7-9-17)5-4-13(18)19-2/h3-10H2,1-2H3.
What are the key properties of methyl 3-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoate?
methyl 3-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoate has a molecular weight of 282.34 g/mol, XLogP of 0.31, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoate is sourced from PubChem (CID 78982319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).