3-ethyl-1-(1-methylimidazol-2-yl)piperidine-3-carboxylic acid

C12H19N3O2 — CID 63136213

IUPAC3-ethyl-1-(1-methylimidazol-2-yl)piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(c2nccn2C)C1
InChIInChI=1S/C12H19N3O2/c1-3-12(10(16)17)5-4-7-15(9-12)11-13-6-8-14(11)2/h6,8H,3-5,7,9H2,1-2H3,(H,16,17)
InChIKeyIYUWGGOFAFPNDQ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.50
Rot. Bonds3

About 3-ethyl-1-(1-methylimidazol-2-yl)piperidine-3-carboxylic acid

3-ethyl-1-(1-methylimidazol-2-yl)piperidine-3-carboxylic acid (PubChem CID 63136213) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-ethyl-1-(1-methylimidazol-2-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(1-methylimidazol-2-yl)piperidine-3-carboxylic acid
PubChem CID63136213
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-ethyl-1-(1-methylimidazol-2-yl)piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(c2nccn2C)C1
InChIInChI=1S/C12H19N3O2/c1-3-12(10(16)17)5-4-7-15(9-12)11-13-6-8-14(11)2/h6,8H,3-5,7,9H2,1-2H3,(H,16,17)
InChIKeyIYUWGGOFAFPNDQ-UHFFFAOYSA-N
XLogP1.50
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(1-methylimidazol-2-yl)piperidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(1-methylimidazol-2-yl)piperidine-3-carboxylic acid (CID 63136213) is 3-ethyl-1-(1-methylimidazol-2-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(1-methylimidazol-2-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(1-methylimidazol-2-yl)piperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(c2nccn2C)C1.
What is the InChIKey of 3-ethyl-1-(1-methylimidazol-2-yl)piperidine-3-carboxylic acid?
The InChIKey is IYUWGGOFAFPNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-12(10(16)17)5-4-7-15(9-12)11-13-6-8-14(11)2/h6,8H,3-5,7,9H2,1-2H3,(H,16,17).
What are the key properties of 3-ethyl-1-(1-methylimidazol-2-yl)piperidine-3-carboxylic acid?
3-ethyl-1-(1-methylimidazol-2-yl)piperidine-3-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(1-methylimidazol-2-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 63136213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).