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

C14H21N3O4 — CID 43431161

IUPACethyl 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CCc2nc(C)no2)C1
InChIInChI=1S/C14H21N3O4/c1-3-20-14(19)11-5-4-8-17(9-11)13(18)7-6-12-15-10(2)16-21-12/h11H,3-9H2,1-2H3
InChIKeyQJCDNQBOIVUQNY-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.11
Rot. Bonds5

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

ethyl 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-3-carboxylate (PubChem CID 43431161) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is ethyl 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-3-carboxylate
PubChem CID43431161
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Nameethyl 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CCc2nc(C)no2)C1
InChIInChI=1S/C14H21N3O4/c1-3-20-14(19)11-5-4-8-17(9-11)13(18)7-6-12-15-10(2)16-21-12/h11H,3-9H2,1-2H3
InChIKeyQJCDNQBOIVUQNY-UHFFFAOYSA-N
XLogP1.11
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-3-carboxylate (CID 43431161) is ethyl 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)CCc2nc(C)no2)C1.
What is the InChIKey of ethyl 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-3-carboxylate?
The InChIKey is QJCDNQBOIVUQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-3-20-14(19)11-5-4-8-17(9-11)13(18)7-6-12-15-10(2)16-21-12/h11H,3-9H2,1-2H3.
What are the key properties of ethyl 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-3-carboxylate?
ethyl 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-3-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 1.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-3-carboxylate is sourced from PubChem (CID 43431161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).