1-[2-(diethylamino)-2-oxoethyl]piperidine-3-carboxylic acid

C12H22N2O3 — CID 43385879

IUPAC1-[2-(diethylamino)-2-oxoethyl]piperidine-3-carboxylic acid
SMILESCCN(CC)C(=O)CN1CCCC(C(=O)O)C1
InChIInChI=1S/C12H22N2O3/c1-3-14(4-2)11(15)9-13-7-5-6-10(8-13)12(16)17/h10H,3-9H2,1-2H3,(H,16,17)
InChIKeyVICISZCGGOTAKW-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.65
Rot. Bonds5

About 1-[2-(diethylamino)-2-oxoethyl]piperidine-3-carboxylic acid

1-[2-(diethylamino)-2-oxoethyl]piperidine-3-carboxylic acid (PubChem CID 43385879) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[2-(diethylamino)-2-oxoethyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(diethylamino)-2-oxoethyl]piperidine-3-carboxylic acid
PubChem CID43385879
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-[2-(diethylamino)-2-oxoethyl]piperidine-3-carboxylic acid
SMILESCCN(CC)C(=O)CN1CCCC(C(=O)O)C1
InChIInChI=1S/C12H22N2O3/c1-3-14(4-2)11(15)9-13-7-5-6-10(8-13)12(16)17/h10H,3-9H2,1-2H3,(H,16,17)
InChIKeyVICISZCGGOTAKW-UHFFFAOYSA-N
XLogP0.65
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 ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid
CID 39432909
1-(2-ethoxy-2-oxoethyl)piperidine-3-carboxylic acid
CID 170458411
2-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-N,N-diethylacetamide
CID 95616410
2-[3-(diethylcarbamoyl)piperidin-1-yl]acetic acid;hydrochloride
CID 67009761
(3S)-1-(cyclopentylmethyl)piperidine-3-carboxylic acid
CID 51441057
1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441021
1-[4-(diethylamino)-4-oxobutyl]pyrrolidine-3-carboxylic acid
CID 63031858
1-[2-[benzyl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63032577
(3S)-1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxylic acid
CID 39247341
1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylic acid
CID 43385895
N,N-diethyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963518
1-(cyclopropylmethyl)piperidine-3-carboxylic acid;hydrochloride
CID 53393263

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)-2-oxoethyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(diethylamino)-2-oxoethyl]piperidine-3-carboxylic acid (CID 43385879) is 1-[2-(diethylamino)-2-oxoethyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(diethylamino)-2-oxoethyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(diethylamino)-2-oxoethyl]piperidine-3-carboxylic acid is CCN(CC)C(=O)CN1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[2-(diethylamino)-2-oxoethyl]piperidine-3-carboxylic acid?
The InChIKey is VICISZCGGOTAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-14(4-2)11(15)9-13-7-5-6-10(8-13)12(16)17/h10H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 1-[2-(diethylamino)-2-oxoethyl]piperidine-3-carboxylic acid?
1-[2-(diethylamino)-2-oxoethyl]piperidine-3-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 0.65, 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-3-carboxylic acid is sourced from PubChem (CID 43385879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).