4-(1-ethylpiperidin-3-yl)-5-oxomorpholine-2-carboxylic acid

C12H20N2O4 — CID 115102972

IUPAC4-(1-ethylpiperidin-3-yl)-5-oxomorpholine-2-carboxylic acid
SMILESCCN1CCCC(N2CC(C(=O)O)OCC2=O)C1
InChIInChI=1S/C12H20N2O4/c1-2-13-5-3-4-9(6-13)14-7-10(12(16)17)18-8-11(14)15/h9-10H,2-8H2,1H3,(H,16,17)
InChIKeyHSOIYYRDOCIDKA-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.22
Rot. Bonds3

About 4-(1-ethylpiperidin-3-yl)-5-oxomorpholine-2-carboxylic acid

4-(1-ethylpiperidin-3-yl)-5-oxomorpholine-2-carboxylic acid (PubChem CID 115102972) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-(1-ethylpiperidin-3-yl)-5-oxomorpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(1-ethylpiperidin-3-yl)-5-oxomorpholine-2-carboxylic acid
PubChem CID115102972
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name4-(1-ethylpiperidin-3-yl)-5-oxomorpholine-2-carboxylic acid
SMILESCCN1CCCC(N2CC(C(=O)O)OCC2=O)C1
InChIInChI=1S/C12H20N2O4/c1-2-13-5-3-4-9(6-13)14-7-10(12(16)17)18-8-11(14)15/h9-10H,2-8H2,1H3,(H,16,17)
InChIKeyHSOIYYRDOCIDKA-UHFFFAOYSA-N
XLogP-0.22
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-ethylpiperidin-3-yl)-5-oxomorpholine-3-carboxylic acid
CID 115102666
1-[1-(2-methylpropyl)piperidin-3-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 117005579
4-(1-ethylpiperidin-3-yl)-5-(hydroxymethyl)morpholin-3-one
CID 115102659
2-(1-ethylpiperidin-3-yl)pyrazole-3-carboxylic acid
CID 105480601
3-(ethylamino)-1-(1-ethylpiperidin-3-yl)pyrrolidin-2-one
CID 54972827
6-(1-ethylpiperidin-3-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83245860
(4S)-1-cycloheptyl-4-[(1-ethylpiperidin-4-yl)amino]pyrrolidin-2-one
CID 26403499
2-[1-(1-ethylpiperidin-3-yl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 61478398
3-(1-ethylpiperidin-3-yl)-5-propan-2-ylimidazolidin-4-one
CID 83247949
4-chloro-1-(1-ethylpiperidin-3-yl)pyrrole-2-carboxylic acid
CID 114604375
4-(oxan-2-ylmethyl)-5-oxomorpholine-2-carboxylic acid
CID 115103049
(3R)-1-ethyl-3-(4-piperidin-1-ylpiperidin-1-yl)piperidine
CID 39801895

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylpiperidin-3-yl)-5-oxomorpholine-2-carboxylic acid?
The IUPAC name of 4-(1-ethylpiperidin-3-yl)-5-oxomorpholine-2-carboxylic acid (CID 115102972) is 4-(1-ethylpiperidin-3-yl)-5-oxomorpholine-2-carboxylic acid.
What is the SMILES notation for 4-(1-ethylpiperidin-3-yl)-5-oxomorpholine-2-carboxylic acid?
The canonical SMILES for 4-(1-ethylpiperidin-3-yl)-5-oxomorpholine-2-carboxylic acid is CCN1CCCC(N2CC(C(=O)O)OCC2=O)C1.
What is the InChIKey of 4-(1-ethylpiperidin-3-yl)-5-oxomorpholine-2-carboxylic acid?
The InChIKey is HSOIYYRDOCIDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-2-13-5-3-4-9(6-13)14-7-10(12(16)17)18-8-11(14)15/h9-10H,2-8H2,1H3,(H,16,17).
What are the key properties of 4-(1-ethylpiperidin-3-yl)-5-oxomorpholine-2-carboxylic acid?
4-(1-ethylpiperidin-3-yl)-5-oxomorpholine-2-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylpiperidin-3-yl)-5-oxomorpholine-2-carboxylic acid is sourced from PubChem (CID 115102972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).