ethyl 1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]tetrazole-5-carboxylate

C13H21N5O3 — CID 79309317

IUPACethyl 1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]tetrazole-5-carboxylate
SMILESCCOC(=O)c1nnnn1CC(=O)N1CCCCC1CC
InChIInChI=1S/C13H21N5O3/c1-3-10-7-5-6-8-17(10)11(19)9-18-12(14-15-16-18)13(20)21-4-2/h10H,3-9H2,1-2H3
InChIKeyHOJLQAKKZQAKJT-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.64
Rot. Bonds5

About ethyl 1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]tetrazole-5-carboxylate

ethyl 1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]tetrazole-5-carboxylate (PubChem CID 79309317) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is ethyl 1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]tetrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]tetrazole-5-carboxylate
PubChem CID79309317
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC Nameethyl 1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]tetrazole-5-carboxylate
SMILESCCOC(=O)c1nnnn1CC(=O)N1CCCCC1CC
InChIInChI=1S/C13H21N5O3/c1-3-10-7-5-6-8-17(10)11(19)9-18-12(14-15-16-18)13(20)21-4-2/h10H,3-9H2,1-2H3
InChIKeyHOJLQAKKZQAKJT-UHFFFAOYSA-N
XLogP0.64
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-aminocyclohexyl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 55116461
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 39954212
3-(2-ethylpiperidin-1-yl)-3-oxopropanethioamide
CID 43266603
4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethoxy]benzamide
CID 7931483
1-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]ethanone
CID 26394254
1-(2-ethylpiperidin-1-yl)-2-methylsulfanylethanone
CID 42891834
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 7500791
1-(2-ethylpiperidin-1-yl)pentan-1-one
CID 3041221
4-O-ethyl 2-O-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 18074126
ethyl 2-[1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]piperidin-2-yl]acetate
CID 70731385
1-[(2R)-2-ethylpiperidin-1-yl]-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 94249392

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]tetrazole-5-carboxylate?
The IUPAC name of ethyl 1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]tetrazole-5-carboxylate (CID 79309317) is ethyl 1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]tetrazole-5-carboxylate.
What is the SMILES notation for ethyl 1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]tetrazole-5-carboxylate?
The canonical SMILES for ethyl 1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]tetrazole-5-carboxylate is CCOC(=O)c1nnnn1CC(=O)N1CCCCC1CC.
What is the InChIKey of ethyl 1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]tetrazole-5-carboxylate?
The InChIKey is HOJLQAKKZQAKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-3-10-7-5-6-8-17(10)11(19)9-18-12(14-15-16-18)13(20)21-4-2/h10H,3-9H2,1-2H3.
What are the key properties of ethyl 1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]tetrazole-5-carboxylate?
ethyl 1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]tetrazole-5-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 0.64, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]tetrazole-5-carboxylate is sourced from PubChem (CID 79309317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).