3-ethyl-1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]piperidine-3-carboxylic acid

C15H26N2O4 — CID 63137530

IUPAC3-ethyl-1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(CC(=O)N2CCOC(C)C2)C1
InChIInChI=1S/C15H26N2O4/c1-3-15(14(19)20)5-4-6-16(11-15)10-13(18)17-7-8-21-12(2)9-17/h12H,3-11H2,1-2H3,(H,19,20)
InChIKeyIZSVGYGIWUMNMW-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.81
Rot. Bonds4

About 3-ethyl-1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]piperidine-3-carboxylic acid

3-ethyl-1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]piperidine-3-carboxylic acid (PubChem CID 63137530) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 3-ethyl-1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]piperidine-3-carboxylic acid
PubChem CID63137530
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name3-ethyl-1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(CC(=O)N2CCOC(C)C2)C1
InChIInChI=1S/C15H26N2O4/c1-3-15(14(19)20)5-4-6-16(11-15)10-13(18)17-7-8-21-12(2)9-17/h12H,3-11H2,1-2H3,(H,19,20)
InChIKeyIZSVGYGIWUMNMW-UHFFFAOYSA-N
XLogP0.81
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepan-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 51074710
2-(azepan-1-yl)-1-[(2S)-2-methylmorpholin-4-yl]ethanone
CID 94823036
3-ethyl-1-(2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63145950
1-[2-(dimethylamino)-2-oxoethyl]-3-ethylpiperidine-3-carboxylic acid
CID 63136962
2-(4-hydroxy-3-methylpiperidin-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 114681420
1-[[(2-methylmorpholine-4-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 113311291
2-[3-(aminomethyl)pyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone
CID 62062880
1-[2-(1,4-diazepan-1-yl)acetyl]-3-ethylpiperidine-3-carboxylic acid
CID 63134718
2-(3-amino-4-methylpyrrolidin-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 103576869
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-(2-methylmorpholin-4-yl)ethanone
CID 114779881
1-[(2S)-2-methylmorpholin-4-yl]-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 100837417
1-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-ethylpiperidine-3-carboxylic acid
CID 55165124

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]piperidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]piperidine-3-carboxylic acid (CID 63137530) is 3-ethyl-1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]piperidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]piperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(CC(=O)N2CCOC(C)C2)C1.
What is the InChIKey of 3-ethyl-1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]piperidine-3-carboxylic acid?
The InChIKey is IZSVGYGIWUMNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-3-15(14(19)20)5-4-6-16(11-15)10-13(18)17-7-8-21-12(2)9-17/h12H,3-11H2,1-2H3,(H,19,20).
What are the key properties of 3-ethyl-1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]piperidine-3-carboxylic acid?
3-ethyl-1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]piperidine-3-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 63137530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).