1-[2-[ethyl(2-methoxyethyl)amino]acetyl]piperidine-4-carboxylic acid

C13H24N2O4 — CID 55100766

IUPAC1-[2-[ethyl(2-methoxyethyl)amino]acetyl]piperidine-4-carboxylic acid
SMILESCCN(CCOC)CC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H24N2O4/c1-3-14(8-9-19-2)10-12(16)15-6-4-11(5-7-15)13(17)18/h11H,3-10H2,1-2H3,(H,17,18)
InChIKeyMRIARKPQZUJEMO-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.28
Rot. Bonds7

About 1-[2-[ethyl(2-methoxyethyl)amino]acetyl]piperidine-4-carboxylic acid

1-[2-[ethyl(2-methoxyethyl)amino]acetyl]piperidine-4-carboxylic acid (PubChem CID 55100766) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 1-[2-[ethyl(2-methoxyethyl)amino]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[ethyl(2-methoxyethyl)amino]acetyl]piperidine-4-carboxylic acid
PubChem CID55100766
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name1-[2-[ethyl(2-methoxyethyl)amino]acetyl]piperidine-4-carboxylic acid
SMILESCCN(CCOC)CC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H24N2O4/c1-3-14(8-9-19-2)10-12(16)15-6-4-11(5-7-15)13(17)18/h11H,3-10H2,1-2H3,(H,17,18)
InChIKeyMRIARKPQZUJEMO-UHFFFAOYSA-N
XLogP0.28
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[ethyl(propyl)amino]acetyl]piperidine-4-carboxylic acid
CID 55100622
1-[2-[2-cyanoethyl(2-methoxyethyl)amino]acetyl]piperidine-4-carboxylic acid
CID 63285337
1-(4-aminopiperidin-1-yl)-2-[bis(2-methoxyethyl)amino]ethanone
CID 39290169
1-[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 62657828
1-[2-[cyclopropylmethyl(propyl)amino]acetyl]piperidine-4-carboxylic acid
CID 62656849
1-[2-[3-(2-methoxyethoxy)propoxy]acetyl]piperidine-4-carboxylic acid
CID 103400775
methyl 3-[2-methoxyethyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate
CID 78958946
1-[2-methoxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030368
1-[2-(2-methoxyethylamino)acetyl]piperidine-4-carboxylic acid
CID 79280780
2-[2-methoxyethyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetic acid
CID 54969051
1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]acetyl]piperidine-4-carboxylic acid
CID 103189745
1-[2-(3-methoxypropylamino)acetyl]piperidine-4-carboxylic acid
CID 103237166

Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethyl(2-methoxyethyl)amino]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[ethyl(2-methoxyethyl)amino]acetyl]piperidine-4-carboxylic acid (CID 55100766) is 1-[2-[ethyl(2-methoxyethyl)amino]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[ethyl(2-methoxyethyl)amino]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[ethyl(2-methoxyethyl)amino]acetyl]piperidine-4-carboxylic acid is CCN(CCOC)CC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-[ethyl(2-methoxyethyl)amino]acetyl]piperidine-4-carboxylic acid?
The InChIKey is MRIARKPQZUJEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-3-14(8-9-19-2)10-12(16)15-6-4-11(5-7-15)13(17)18/h11H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 1-[2-[ethyl(2-methoxyethyl)amino]acetyl]piperidine-4-carboxylic acid?
1-[2-[ethyl(2-methoxyethyl)amino]acetyl]piperidine-4-carboxylic acid has a molecular weight of 272.34 g/mol, XLogP of 0.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl(2-methoxyethyl)amino]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 55100766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).