4-ethyl-1-(2-imidazol-1-ylethyl)piperidine-4-carboxylic acid

C13H21N3O2 — CID 63126519

IUPAC4-ethyl-1-(2-imidazol-1-ylethyl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(CCn2ccnc2)CC1
InChIInChI=1S/C13H21N3O2/c1-2-13(12(17)18)3-6-15(7-4-13)9-10-16-8-5-14-11-16/h5,8,11H,2-4,6-7,9-10H2,1H3,(H,17,18)
InChIKeyRHMYWPROSQCMLW-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.46
Rot. Bonds5

About 4-ethyl-1-(2-imidazol-1-ylethyl)piperidine-4-carboxylic acid

4-ethyl-1-(2-imidazol-1-ylethyl)piperidine-4-carboxylic acid (PubChem CID 63126519) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-ethyl-1-(2-imidazol-1-ylethyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(2-imidazol-1-ylethyl)piperidine-4-carboxylic acid
PubChem CID63126519
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-ethyl-1-(2-imidazol-1-ylethyl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(CCn2ccnc2)CC1
InChIInChI=1S/C13H21N3O2/c1-2-13(12(17)18)3-6-15(7-4-13)9-10-16-8-5-14-11-16/h5,8,11H,2-4,6-7,9-10H2,1H3,(H,17,18)
InChIKeyRHMYWPROSQCMLW-UHFFFAOYSA-N
XLogP1.46
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-1-(3-imidazol-1-ylpropanoyl)piperidine-4-carboxylic acid
CID 63125262
1-(3-imidazol-1-ylpropanoyl)-4-propylpiperidine-4-carboxylic acid
CID 63125704
1-(2-pyrrolidin-1-ylethyl)imidazole
CID 19964498
ethyl 2-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]acetate
CID 90533491
1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-ethylpiperidine-4-carboxylic acid
CID 63126649
4-ethyl-1-(2-pyridin-2-ylethyl)piperidine-4-carboxylic acid
CID 55179316
1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 71788571
4-ethyl-1-(3-methylsulfanylpropyl)piperidine-4-carboxylic acid
CID 65066458
[(3R)-1-(2-imidazol-1-ylethyl)-3-propylpiperidin-3-yl]methanol
CID 97120592
1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-2-pyrazol-1-ylethanone
CID 90533365
carbonic acid;1-dodecylimidazole
CID 175596781
[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 90533226

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(2-imidazol-1-ylethyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-(2-imidazol-1-ylethyl)piperidine-4-carboxylic acid (CID 63126519) is 4-ethyl-1-(2-imidazol-1-ylethyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(2-imidazol-1-ylethyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(2-imidazol-1-ylethyl)piperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(CCn2ccnc2)CC1.
What is the InChIKey of 4-ethyl-1-(2-imidazol-1-ylethyl)piperidine-4-carboxylic acid?
The InChIKey is RHMYWPROSQCMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-13(12(17)18)3-6-15(7-4-13)9-10-16-8-5-14-11-16/h5,8,11H,2-4,6-7,9-10H2,1H3,(H,17,18).
What are the key properties of 4-ethyl-1-(2-imidazol-1-ylethyl)piperidine-4-carboxylic acid?
4-ethyl-1-(2-imidazol-1-ylethyl)piperidine-4-carboxylic acid has a molecular weight of 251.33 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(2-imidazol-1-ylethyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 63126519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).