ethyl 2-[(2S,6R)-6-(2-ethoxy-2-oxoethyl)-1-methylpiperidin-2-yl]acetate

C14H25NO4 — CID 66591598

IUPACethyl 2-[(2S,6R)-6-(2-ethoxy-2-oxoethyl)-1-methylpiperidin-2-yl]acetate
SMILESCCOC(=O)C[C@H]1CCC[C@@H](CC(=O)OCC)N1C
InChIInChI=1S/C14H25NO4/c1-4-18-13(16)9-11-7-6-8-12(15(11)3)10-14(17)19-5-2/h11-12H,4-10H2,1-3H3/t11-,12+
InChIKeyHTDVZCAGLAKZHY-TXEJJXNPSA-N
MW271.36 g/mol
LogP1.75
Rot. Bonds6

About ethyl 2-[(2S,6R)-6-(2-ethoxy-2-oxoethyl)-1-methylpiperidin-2-yl]acetate

ethyl 2-[(2S,6R)-6-(2-ethoxy-2-oxoethyl)-1-methylpiperidin-2-yl]acetate (PubChem CID 66591598) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is ethyl 2-[(2S,6R)-6-(2-ethoxy-2-oxoethyl)-1-methylpiperidin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2S,6R)-6-(2-ethoxy-2-oxoethyl)-1-methylpiperidin-2-yl]acetate
PubChem CID66591598
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Nameethyl 2-[(2S,6R)-6-(2-ethoxy-2-oxoethyl)-1-methylpiperidin-2-yl]acetate
SMILESCCOC(=O)C[C@H]1CCC[C@@H](CC(=O)OCC)N1C
InChIInChI=1S/C14H25NO4/c1-4-18-13(16)9-11-7-6-8-12(15(11)3)10-14(17)19-5-2/h11-12H,4-10H2,1-3H3/t11-,12+
InChIKeyHTDVZCAGLAKZHY-TXEJJXNPSA-N
XLogP1.75
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[(2S,6R)-6-(2-ethoxy-2-oxoethyl)-1-methylpiperidin-2-yl]acetate with MolForge

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Related Compounds

ethyl 3-[2-(2-ethoxy-2-oxoethyl)pyrrolidin-1-yl]-3-oxopropanoate
CID 139663966
ethyl 2-[(1R,3S)-3-(2-ethoxy-2-oxoethyl)cyclohexyl]acetate
CID 58358703
ethyl 2-[(1S,3R)-3-hydroxycyclohexyl]acetate;ethyl 2-[(1S,3S)-3-hydroxycyclohexyl]acetate
CID 159851625
tert-butyl 2-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 14105087
ethyl 2-(1,4-dimethylpiperazin-2-yl)acetate;dihydrochloride
CID 90485290
ethyl 2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 23251970
ethyl 2-[(2R,5R)-7-oxo-1-azabicyclo[3.2.0]heptan-2-yl]acetate
CID 11735742
ethyl 2-[(1R,3R)-3-methoxycyclohexyl]acetate
CID 98041349
ethyl 2-(2-propan-2-ylcyclohexyl)acetate
CID 58689217
ethyl (2S,5R)-5-(2-ethoxy-2-oxoethyl)-1-(3-ethoxy-3-oxopropanoyl)pyrrolidine-2-carboxylate
CID 162684449
(2-ethoxy-2-oxoethyl) 2-(1-methylpiperidin-4-yl)acetate
CID 59843350
ethyl 2-[(2S)-2-ethylpiperidin-1-yl]acetate
CID 51697484

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2S,6R)-6-(2-ethoxy-2-oxoethyl)-1-methylpiperidin-2-yl]acetate?
The IUPAC name of ethyl 2-[(2S,6R)-6-(2-ethoxy-2-oxoethyl)-1-methylpiperidin-2-yl]acetate (CID 66591598) is ethyl 2-[(2S,6R)-6-(2-ethoxy-2-oxoethyl)-1-methylpiperidin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[(2S,6R)-6-(2-ethoxy-2-oxoethyl)-1-methylpiperidin-2-yl]acetate?
The canonical SMILES for ethyl 2-[(2S,6R)-6-(2-ethoxy-2-oxoethyl)-1-methylpiperidin-2-yl]acetate is CCOC(=O)C[C@H]1CCC[C@@H](CC(=O)OCC)N1C.
What is the InChIKey of ethyl 2-[(2S,6R)-6-(2-ethoxy-2-oxoethyl)-1-methylpiperidin-2-yl]acetate?
The InChIKey is HTDVZCAGLAKZHY-TXEJJXNPSA-N. The full InChI is InChI=1S/C14H25NO4/c1-4-18-13(16)9-11-7-6-8-12(15(11)3)10-14(17)19-5-2/h11-12H,4-10H2,1-3H3/t11-,12+.
What are the key properties of ethyl 2-[(2S,6R)-6-(2-ethoxy-2-oxoethyl)-1-methylpiperidin-2-yl]acetate?
ethyl 2-[(2S,6R)-6-(2-ethoxy-2-oxoethyl)-1-methylpiperidin-2-yl]acetate has a molecular weight of 271.36 g/mol, XLogP of 1.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2S,6R)-6-(2-ethoxy-2-oxoethyl)-1-methylpiperidin-2-yl]acetate is sourced from PubChem (CID 66591598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).