4-ethyl-1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]piperidine-2-carboxylic acid

C13H22N2O5 — CID 114430104

IUPAC4-ethyl-1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]piperidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)N(C)CC(=O)OC)C(C(=O)O)C1
InChIInChI=1S/C13H22N2O5/c1-4-9-5-6-15(10(7-9)12(17)18)13(19)14(2)8-11(16)20-3/h9-10H,4-8H2,1-3H3,(H,17,18)
InChIKeyALYCBLPTFHNGOZ-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.79
Rot. Bonds4

About 4-ethyl-1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]piperidine-2-carboxylic acid

4-ethyl-1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]piperidine-2-carboxylic acid (PubChem CID 114430104) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-ethyl-1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]piperidine-2-carboxylic acid
PubChem CID114430104
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name4-ethyl-1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]piperidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)N(C)CC(=O)OC)C(C(=O)O)C1
InChIInChI=1S/C13H22N2O5/c1-4-9-5-6-15(10(7-9)12(17)18)13(19)14(2)8-11(16)20-3/h9-10H,4-8H2,1-3H3,(H,17,18)
InChIKeyALYCBLPTFHNGOZ-UHFFFAOYSA-N
XLogP0.79
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 4-ethyl-1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]piperidine-2-carboxylic acid (CID 114430104) is 4-ethyl-1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]piperidine-2-carboxylic acid is CCC1CCN(C(=O)N(C)CC(=O)OC)C(C(=O)O)C1.
What is the InChIKey of 4-ethyl-1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]piperidine-2-carboxylic acid?
The InChIKey is ALYCBLPTFHNGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-4-9-5-6-15(10(7-9)12(17)18)13(19)14(2)8-11(16)20-3/h9-10H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 4-ethyl-1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]piperidine-2-carboxylic acid?
4-ethyl-1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]piperidine-2-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 114430104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).