1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylic acid

C12H22N2O3 — CID 43441021

IUPAC1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylic acid
SMILESCCN(CC)C(=O)CN1CCCCC1C(=O)O
InChIInChI=1S/C12H22N2O3/c1-3-13(4-2)11(15)9-14-8-6-5-7-10(14)12(16)17/h10H,3-9H2,1-2H3,(H,16,17)
InChIKeyMHXJKXRVZJKRRO-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.79
Rot. Bonds5

About 1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylic acid

1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylic acid (PubChem CID 43441021) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylic acid
PubChem CID43441021
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylic acid
SMILESCCN(CC)C(=O)CN1CCCCC1C(=O)O
InChIInChI=1S/C12H22N2O3/c1-3-13(4-2)11(15)9-14-8-6-5-7-10(14)12(16)17/h10H,3-9H2,1-2H3,(H,16,17)
InChIKeyMHXJKXRVZJKRRO-UHFFFAOYSA-N
XLogP0.79
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(diethylamino)-2-oxoethyl]piperidine-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

1-[2-(dimethylamino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441016
ethyl (2R)-1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate
CID 94822878
methyl 1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate
CID 115279176
1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441174
1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]azepane-2-carboxylic acid
CID 64564533
1-[2-(N-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441165
1-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441126
1-[2-(diethylamino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 43385879
1-(2-oxobutyl)pyrrolidine-2-carboxylic acid
CID 82406232
2-[2-(aminomethyl)piperidin-1-yl]-N,N-diethylacetamide;hydrochloride
CID 120869605
1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909272
1-[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441954

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylic acid (CID 43441021) is 1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylic acid is CCN(CC)C(=O)CN1CCCCC1C(=O)O.
What is the InChIKey of 1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylic acid?
The InChIKey is MHXJKXRVZJKRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-13(4-2)11(15)9-14-8-6-5-7-10(14)12(16)17/h10H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylic acid?
1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 43441021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).