4-ethyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxylic acid

C14H21N3O3 — CID 115973034

IUPAC4-ethyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(c2nc(C)cc(OC)n2)CC1
InChIInChI=1S/C14H21N3O3/c1-4-14(12(18)19)5-7-17(8-6-14)13-15-10(2)9-11(16-13)20-3/h9H,4-8H2,1-3H3,(H,18,19)
InChIKeyHWATYIUBQWRWCW-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.87
Rot. Bonds4

About 4-ethyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxylic acid

4-ethyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxylic acid (PubChem CID 115973034) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-ethyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxylic acid
PubChem CID115973034
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name4-ethyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(c2nc(C)cc(OC)n2)CC1
InChIInChI=1S/C14H21N3O3/c1-4-14(12(18)19)5-7-17(8-6-14)13-15-10(2)9-11(16-13)20-3/h9H,4-8H2,1-3H3,(H,18,19)
InChIKeyHWATYIUBQWRWCW-UHFFFAOYSA-N
XLogP1.87
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-ethyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxylic acid
CID 115973040
1-(4,6-dimethoxypyrimidin-2-yl)-3-ethylpyrrolidine-3-carboxylic acid
CID 115354743
1-(4,6-dimethylpyrimidin-2-yl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63146887
3-ethyl-1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 115973046
1-(4-cyano-6-methylpyrimidin-2-yl)-4-ethylpiperidine-4-carboxylic acid
CID 107542962
3-ethyl-1-(4-methoxy-6-methylpyrimidin-2-yl)azetidin-3-ol
CID 146128971
4-ethyl-1-(6-methylpyrimidin-4-yl)piperidine-4-carboxylic acid
CID 63125900
[1-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine
CID 112634707
3-ethyl-1-(4-methoxy-6-methylpyrimidin-2-yl)azetidin-3-amine
CID 112635867
3-amino-1-(4-ethoxy-6-methylpyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 107325390
4-(4-fluorophenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-4-ol
CID 3228710
1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxylic acid
CID 112634329

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxylic acid (CID 115973034) is 4-ethyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(c2nc(C)cc(OC)n2)CC1.
What is the InChIKey of 4-ethyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxylic acid?
The InChIKey is HWATYIUBQWRWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-4-14(12(18)19)5-7-17(8-6-14)13-15-10(2)9-11(16-13)20-3/h9H,4-8H2,1-3H3,(H,18,19).
What are the key properties of 4-ethyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxylic acid?
4-ethyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 115973034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).