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

C16H20N4O3 — CID 45200769

IUPACethyl 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2ccc(-c3nc(C)no3)cn2)C1
InChIInChI=1S/C16H20N4O3/c1-3-22-16(21)13-5-4-8-20(10-13)14-7-6-12(9-17-14)15-18-11(2)19-23-15/h6-7,9,13H,3-5,8,10H2,1-2H3
InChIKeyHQZDIDGSKCOXGO-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.22
Rot. Bonds4

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

ethyl 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylate (PubChem CID 45200769) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is ethyl 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylate
PubChem CID45200769
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Nameethyl 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2ccc(-c3nc(C)no3)cn2)C1
InChIInChI=1S/C16H20N4O3/c1-3-22-16(21)13-5-4-8-20(10-13)14-7-6-12(9-17-14)15-18-11(2)19-23-15/h6-7,9,13H,3-5,8,10H2,1-2H3
InChIKeyHQZDIDGSKCOXGO-UHFFFAOYSA-N
XLogP2.22
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylate (CID 45200769) is ethyl 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(c2ccc(-c3nc(C)no3)cn2)C1.
What is the InChIKey of ethyl 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylate?
The InChIKey is HQZDIDGSKCOXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-3-22-16(21)13-5-4-8-20(10-13)14-7-6-12(9-17-14)15-18-11(2)19-23-15/h6-7,9,13H,3-5,8,10H2,1-2H3.
What are the key properties of ethyl 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylate?
ethyl 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylate has a molecular weight of 316.36 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylate is sourced from PubChem (CID 45200769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).