3-ethyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxylic acid

C14H21N3O3 — CID 115973040

IUPAC3-ethyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(c2nc(C)cc(OC)n2)C1
InChIInChI=1S/C14H21N3O3/c1-4-14(12(18)19)6-5-7-17(9-14)13-15-10(2)8-11(16-13)20-3/h8H,4-7,9H2,1-3H3,(H,18,19)
InChIKeyNMDPUWHZAQNKEU-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.87
Rot. Bonds4

About 3-ethyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxylic acid

3-ethyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxylic acid (PubChem CID 115973040) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-ethyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxylic acid
PubChem CID115973040
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name3-ethyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(c2nc(C)cc(OC)n2)C1
InChIInChI=1S/C14H21N3O3/c1-4-14(12(18)19)6-5-7-17(9-14)13-15-10(2)8-11(16-13)20-3/h8H,4-7,9H2,1-3H3,(H,18,19)
InChIKeyNMDPUWHZAQNKEU-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

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Related Compounds

4-ethyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxylic acid
CID 115973034
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-methoxypyrimidin-2-yl)-3-propylpiperidine-3-carboxylic acid
CID 63136313
3-ethyl-1-(4-methoxy-6-methylpyrimidin-2-yl)azetidin-3-ol
CID 146128971
1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxylic acid
CID 112634329
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
1-(2-carbamoyl-4-pyridinyl)-3-ethylpiperidine-3-carboxylic acid
CID 63136488
3-ethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylic acid
CID 64586238
1-(4,6-dimethoxypyrimidin-2-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977561

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxylic acid (CID 115973040) is 3-ethyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(c2nc(C)cc(OC)n2)C1.
What is the InChIKey of 3-ethyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxylic acid?
The InChIKey is NMDPUWHZAQNKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-4-14(12(18)19)6-5-7-17(9-14)13-15-10(2)8-11(16-13)20-3/h8H,4-7,9H2,1-3H3,(H,18,19).
What are the key properties of 3-ethyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxylic acid?
3-ethyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-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 3-ethyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 115973040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).