ethyl 4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]piperidine-1-carboxylate

C17H28N4O4 — CID 55821563

IUPACethyl 4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]piperidine-1-carboxylate
SMILESCCCc1noc(CCCC(=O)NC2CCN(C(=O)OCC)CC2)n1
InChIInChI=1S/C17H28N4O4/c1-3-6-14-19-16(25-20-14)8-5-7-15(22)18-13-9-11-21(12-10-13)17(23)24-4-2/h13H,3-12H2,1-2H3,(H,18,22)
InChIKeyVAUWNQSKGPJBHJ-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.08
Rot. Bonds8

About ethyl 4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]piperidine-1-carboxylate

ethyl 4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]piperidine-1-carboxylate (PubChem CID 55821563) has the molecular formula C17H28N4O4 and a molecular weight of 352.44 g/mol. Its IUPAC name is ethyl 4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]piperidine-1-carboxylate
PubChem CID55821563
Molecular FormulaC17H28N4O4
Molecular Weight352.44 g/mol
Exact Mass352.21
IUPAC Nameethyl 4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]piperidine-1-carboxylate
SMILESCCCc1noc(CCCC(=O)NC2CCN(C(=O)OCC)CC2)n1
InChIInChI=1S/C17H28N4O4/c1-3-6-14-19-16(25-20-14)8-5-7-15(22)18-13-9-11-21(12-10-13)17(23)24-4-2/h13H,3-12H2,1-2H3,(H,18,22)
InChIKeyVAUWNQSKGPJBHJ-UHFFFAOYSA-N
XLogP2.08
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]piperidine-1-carboxylate (CID 55821563) is ethyl 4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]piperidine-1-carboxylate is CCCc1noc(CCCC(=O)NC2CCN(C(=O)OCC)CC2)n1.
What is the InChIKey of ethyl 4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]piperidine-1-carboxylate?
The InChIKey is VAUWNQSKGPJBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O4/c1-3-6-14-19-16(25-20-14)8-5-7-15(22)18-13-9-11-21(12-10-13)17(23)24-4-2/h13H,3-12H2,1-2H3,(H,18,22).
What are the key properties of ethyl 4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]piperidine-1-carboxylate?
ethyl 4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]piperidine-1-carboxylate has a molecular weight of 352.44 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 55821563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).