3-ethyl-1-(6-ethylpyrimidin-4-yl)piperidine-3-carboxylic acid

C14H21N3O2 — CID 55165503

IUPAC3-ethyl-1-(6-ethylpyrimidin-4-yl)piperidine-3-carboxylic acid
SMILESCCc1cc(N2CCCC(CC)(C(=O)O)C2)ncn1
InChIInChI=1S/C14H21N3O2/c1-3-11-8-12(16-10-15-11)17-7-5-6-14(4-2,9-17)13(18)19/h8,10H,3-7,9H2,1-2H3,(H,18,19)
InChIKeyZDIQHVWBVXIKIH-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.12
Rot. Bonds4

About 3-ethyl-1-(6-ethylpyrimidin-4-yl)piperidine-3-carboxylic acid

3-ethyl-1-(6-ethylpyrimidin-4-yl)piperidine-3-carboxylic acid (PubChem CID 55165503) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-ethyl-1-(6-ethylpyrimidin-4-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(6-ethylpyrimidin-4-yl)piperidine-3-carboxylic acid
PubChem CID55165503
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-ethyl-1-(6-ethylpyrimidin-4-yl)piperidine-3-carboxylic acid
SMILESCCc1cc(N2CCCC(CC)(C(=O)O)C2)ncn1
InChIInChI=1S/C14H21N3O2/c1-3-11-8-12(16-10-15-11)17-7-5-6-14(4-2,9-17)13(18)19/h8,10H,3-7,9H2,1-2H3,(H,18,19)
InChIKeyZDIQHVWBVXIKIH-UHFFFAOYSA-N
XLogP2.12
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(6-ethylpyrimidin-4-yl)piperidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(6-ethylpyrimidin-4-yl)piperidine-3-carboxylic acid (CID 55165503) is 3-ethyl-1-(6-ethylpyrimidin-4-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(6-ethylpyrimidin-4-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(6-ethylpyrimidin-4-yl)piperidine-3-carboxylic acid is CCc1cc(N2CCCC(CC)(C(=O)O)C2)ncn1.
What is the InChIKey of 3-ethyl-1-(6-ethylpyrimidin-4-yl)piperidine-3-carboxylic acid?
The InChIKey is ZDIQHVWBVXIKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-11-8-12(16-10-15-11)17-7-5-6-14(4-2,9-17)13(18)19/h8,10H,3-7,9H2,1-2H3,(H,18,19).
What are the key properties of 3-ethyl-1-(6-ethylpyrimidin-4-yl)piperidine-3-carboxylic acid?
3-ethyl-1-(6-ethylpyrimidin-4-yl)piperidine-3-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(6-ethylpyrimidin-4-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 55165503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).