4-ethyl-1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidine-4-carboxylic acid

C14H24N2O4 — CID 102656168

IUPAC4-ethyl-1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)COC2(C)CNC2)CC1
InChIInChI=1S/C14H24N2O4/c1-3-14(12(18)19)4-6-16(7-5-14)11(17)8-20-13(2)9-15-10-13/h15H,3-10H2,1-2H3,(H,18,19)
InChIKeyYQLVYULIUNJNQK-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.47
Rot. Bonds5

About 4-ethyl-1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidine-4-carboxylic acid

4-ethyl-1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidine-4-carboxylic acid (PubChem CID 102656168) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-ethyl-1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidine-4-carboxylic acid
PubChem CID102656168
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name4-ethyl-1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)COC2(C)CNC2)CC1
InChIInChI=1S/C14H24N2O4/c1-3-14(12(18)19)4-6-16(7-5-14)11(17)8-20-13(2)9-15-10-13/h15H,3-10H2,1-2H3,(H,18,19)
InChIKeyYQLVYULIUNJNQK-UHFFFAOYSA-N
XLogP0.47
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidine-3-carboxylic acid
CID 102656171
1-[2-(3-methylazetidin-3-yl)oxyacetyl]-3-propylpiperidine-3-carboxylic acid
CID 102656172
8-[2-(3-methylazetidin-3-yl)oxyacetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 102655908
4-ethyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxylic acid
CID 103205968
1-(3,4-dimethylpyrrolidin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone
CID 102611691
1-(azepan-1-yl)-2-(3-methylpiperidin-3-yl)oxyethanone
CID 107385595
N-[1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidin-4-yl]butanamide
CID 102611416
1-[3-(2-amino-2-oxoethyl)sulfanylpropanoyl]-4-ethylpiperidine-4-carboxylic acid
CID 63125337
4-ethyl-1-[2-(prop-2-ynylamino)acetyl]piperidine-4-carboxylic acid
CID 79272527
1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone
CID 102656658
1-[2-(1,4-diazepan-1-yl)acetyl]-4-ethylpiperidine-4-carboxylic acid
CID 63125536
1-[2-(tert-butylamino)acetyl]-4-ethylpiperidine-4-carboxylic acid
CID 79257130

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidine-4-carboxylic acid (CID 102656168) is 4-ethyl-1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)COC2(C)CNC2)CC1.
What is the InChIKey of 4-ethyl-1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidine-4-carboxylic acid?
The InChIKey is YQLVYULIUNJNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-3-14(12(18)19)4-6-16(7-5-14)11(17)8-20-13(2)9-15-10-13/h15H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 4-ethyl-1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidine-4-carboxylic acid?
4-ethyl-1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidine-4-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 102656168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).