3-ethyl-4-morpholin-4-ylpiperidine-4-carboxylic acid

C12H22N2O3 — CID 114510525

IUPAC3-ethyl-4-morpholin-4-ylpiperidine-4-carboxylic acid
SMILESCCC1CNCCC1(C(=O)O)N1CCOCC1
InChIInChI=1S/C12H22N2O3/c1-2-10-9-13-4-3-12(10,11(15)16)14-5-7-17-8-6-14/h10,13H,2-9H2,1H3,(H,15,16)
InChIKeyLWKCBUOBUGTILL-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.16
Rot. Bonds3

About 3-ethyl-4-morpholin-4-ylpiperidine-4-carboxylic acid

3-ethyl-4-morpholin-4-ylpiperidine-4-carboxylic acid (PubChem CID 114510525) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-ethyl-4-morpholin-4-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-4-morpholin-4-ylpiperidine-4-carboxylic acid
PubChem CID114510525
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3-ethyl-4-morpholin-4-ylpiperidine-4-carboxylic acid
SMILESCCC1CNCCC1(C(=O)O)N1CCOCC1
InChIInChI=1S/C12H22N2O3/c1-2-10-9-13-4-3-12(10,11(15)16)14-5-7-17-8-6-14/h10,13H,2-9H2,1H3,(H,15,16)
InChIKeyLWKCBUOBUGTILL-UHFFFAOYSA-N
XLogP0.16
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-4-morpholin-4-ylpiperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Morpholin-4-yl-piperidine-4-carboxylic acid
CID 3159697
Ethyl 3-ethyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate
CID 114509137
Methyl [1,4'-bipiperidine]-4'-carboxylate
CID 69806218
Ethyl 4-morpholin-4-ylpiperidine-4-carboxylate
CID 69869260
1-(4-Carboxypiperidin-4-yl)-3,3-dimethylpiperidine-4-carboxylic acid
CID 71089504
2-(Morpholin-4-ylmethyl)piperidine-4-carboxylic acid
CID 123313424
4-Methyl-4-(3-morpholin-4-ylpropylamino)pentanoic acid
CID 130293812
(2R)-2-ethoxycarbonyl-1-piperidin-4-ylpiperidine-4-carboxylic acid
CID 151058847
4-Morpholin-4-ium-4-ylpiperidin-1-ium-4-carboxylate
CID 7219955
4-Morpholin-4-ylpiperidin-1-ium-4-carboxylate
CID 28305885
2-Methyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pentanoic acid
CID 43619459
4-Morpholin-4-yl-1-propylpiperidine-4-carboxylic acid
CID 43803236

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-morpholin-4-ylpiperidine-4-carboxylic acid?
The IUPAC name of 3-ethyl-4-morpholin-4-ylpiperidine-4-carboxylic acid (CID 114510525) is 3-ethyl-4-morpholin-4-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 3-ethyl-4-morpholin-4-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 3-ethyl-4-morpholin-4-ylpiperidine-4-carboxylic acid is CCC1CNCCC1(C(=O)O)N1CCOCC1.
What is the InChIKey of 3-ethyl-4-morpholin-4-ylpiperidine-4-carboxylic acid?
The InChIKey is LWKCBUOBUGTILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-2-10-9-13-4-3-12(10,11(15)16)14-5-7-17-8-6-14/h10,13H,2-9H2,1H3,(H,15,16).
What are the key properties of 3-ethyl-4-morpholin-4-ylpiperidine-4-carboxylic acid?
3-ethyl-4-morpholin-4-ylpiperidine-4-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-morpholin-4-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 114510525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).