4-(4-ethyl-3-methylpiperazine-1-carbonyl)morpholine-2-carboxylic acid

C13H23N3O4 — CID 63614048

IUPAC4-(4-ethyl-3-methylpiperazine-1-carbonyl)morpholine-2-carboxylic acid
SMILESCCN1CCN(C(=O)N2CCOC(C(=O)O)C2)CC1C
InChIInChI=1S/C13H23N3O4/c1-3-14-4-5-15(8-10(14)2)13(19)16-6-7-20-11(9-16)12(17)18/h10-11H,3-9H2,1-2H3,(H,17,18)
InChIKeyBJNDJMDORMRHGR-UHFFFAOYSA-N
MW285.34 g/mol
LogP-0.08
Rot. Bonds2

About 4-(4-ethyl-3-methylpiperazine-1-carbonyl)morpholine-2-carboxylic acid

4-(4-ethyl-3-methylpiperazine-1-carbonyl)morpholine-2-carboxylic acid (PubChem CID 63614048) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 4-(4-ethyl-3-methylpiperazine-1-carbonyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(4-ethyl-3-methylpiperazine-1-carbonyl)morpholine-2-carboxylic acid
PubChem CID63614048
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name4-(4-ethyl-3-methylpiperazine-1-carbonyl)morpholine-2-carboxylic acid
SMILESCCN1CCN(C(=O)N2CCOC(C(=O)O)C2)CC1C
InChIInChI=1S/C13H23N3O4/c1-3-14-4-5-15(8-10(14)2)13(19)16-6-7-20-11(9-16)12(17)18/h10-11H,3-9H2,1-2H3,(H,17,18)
InChIKeyBJNDJMDORMRHGR-UHFFFAOYSA-N
XLogP-0.08
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-ethyl-3-methylpiperazine-1-carbonyl)morpholine-2-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

(3S)-1-(4-ethyl-3-methylpiperazine-1-carbonyl)piperidine-3-carboxylic acid
CID 81125816
4-acetylmorpholine-2-carboxylic acid
CID 20598078
4-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]morpholine-2-carboxylic acid
CID 81475507
4-(2,2-dimethylpropanoyl)morpholine-2-carboxylic acid
CID 54595495
4-acetylmorpholine-2-carboxylic acid;ethane
CID 144675076
(2S,4S)-1-(4-ethyl-3-methylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713072
4-(4-ethyl-3-methylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783355
4-(4,4-dimethylazepane-1-carbonyl)morpholine-2-carboxylic acid
CID 65282177
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carbonyl)morpholine-2-carboxylic acid
CID 63155350
2-(4-ethyl-3-methylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63610170
4-[(2S)-2-aminopentanoyl]morpholine-2-carboxylic acid
CID 107569483
4-[2-methyl-2-(methylamino)propanoyl]morpholine-2-carboxylic acid
CID 62846931

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-3-methylpiperazine-1-carbonyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(4-ethyl-3-methylpiperazine-1-carbonyl)morpholine-2-carboxylic acid (CID 63614048) is 4-(4-ethyl-3-methylpiperazine-1-carbonyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(4-ethyl-3-methylpiperazine-1-carbonyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(4-ethyl-3-methylpiperazine-1-carbonyl)morpholine-2-carboxylic acid is CCN1CCN(C(=O)N2CCOC(C(=O)O)C2)CC1C.
What is the InChIKey of 4-(4-ethyl-3-methylpiperazine-1-carbonyl)morpholine-2-carboxylic acid?
The InChIKey is BJNDJMDORMRHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-3-14-4-5-15(8-10(14)2)13(19)16-6-7-20-11(9-16)12(17)18/h10-11H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 4-(4-ethyl-3-methylpiperazine-1-carbonyl)morpholine-2-carboxylic acid?
4-(4-ethyl-3-methylpiperazine-1-carbonyl)morpholine-2-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-3-methylpiperazine-1-carbonyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 63614048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).