ethyl 2-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]oxyacetate

C14H26N2O3 — CID 58136136

IUPACethyl 2-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]oxyacetate
SMILESCCOC(=O)COC1CCN(C2CCN(C)CC2)C1
InChIInChI=1S/C14H26N2O3/c1-3-18-14(17)11-19-13-6-9-16(10-13)12-4-7-15(2)8-5-12/h12-13H,3-11H2,1-2H3
InChIKeyYTICTTMRJSHZQY-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.73
Rot. Bonds5

About ethyl 2-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]oxyacetate

ethyl 2-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]oxyacetate (PubChem CID 58136136) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is ethyl 2-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]oxyacetate.

Molecular Properties

Compound Nameethyl 2-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]oxyacetate
PubChem CID58136136
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nameethyl 2-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]oxyacetate
SMILESCCOC(=O)COC1CCN(C2CCN(C)CC2)C1
InChIInChI=1S/C14H26N2O3/c1-3-18-14(17)11-19-13-6-9-16(10-13)12-4-7-15(2)8-5-12/h12-13H,3-11H2,1-2H3
InChIKeyYTICTTMRJSHZQY-UHFFFAOYSA-N
XLogP0.73
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutanoate
CID 58136060
N,N-dimethyl-2-[[4-(1-methylpiperidin-4-yl)-1,4-oxazepan-6-yl]oxy]acetamide
CID 162798298
(2-ethoxy-2-oxoethyl) 2-(1-methylpiperidin-4-yl)acetate
CID 59843350
ethyl 2-(1,1-dioxothian-4-yl)oxyacetate
CID 166884865
1-[(3R)-1-methylpyrrolidin-3-yl]oxypropan-2-one
CID 162750810
1-(1-methylpiperidin-4-yl)oxybutan-2-one
CID 143481860
ethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoacetate
CID 58135902
ethyl 2-(3-aminocyclopentyl)oxyacetate
CID 106940565
1-methyl-4-(4-propoxypiperidin-1-yl)piperidine
CID 169029222
CID 58729260
CID 58729260
benzyl 3-(2-ethoxy-2-oxoethoxy)pyrrolidine-1-carboxylate
CID 175933691
ethyl 3-hydroxy-3-(1-methylpiperidin-4-yl)propanoate
CID 12535231

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]oxyacetate?
The IUPAC name of ethyl 2-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]oxyacetate (CID 58136136) is ethyl 2-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]oxyacetate.
What is the SMILES notation for ethyl 2-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]oxyacetate?
The canonical SMILES for ethyl 2-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]oxyacetate is CCOC(=O)COC1CCN(C2CCN(C)CC2)C1.
What is the InChIKey of ethyl 2-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]oxyacetate?
The InChIKey is YTICTTMRJSHZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-3-18-14(17)11-19-13-6-9-16(10-13)12-4-7-15(2)8-5-12/h12-13H,3-11H2,1-2H3.
What are the key properties of ethyl 2-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]oxyacetate?
ethyl 2-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]oxyacetate has a molecular weight of 270.37 g/mol, XLogP of 0.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]oxyacetate is sourced from PubChem (CID 58136136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).