1-(6-ethoxypyrimidin-4-yl)-4-ethylpiperidine-2-carboxylic acid

C14H21N3O3 — CID 114427497

IUPAC1-(6-ethoxypyrimidin-4-yl)-4-ethylpiperidine-2-carboxylic acid
SMILESCCOc1cc(N2CCC(CC)CC2C(=O)O)ncn1
InChIInChI=1S/C14H21N3O3/c1-3-10-5-6-17(11(7-10)14(18)19)12-8-13(20-4-2)16-9-15-12/h8-11H,3-7H2,1-2H3,(H,18,19)
InChIKeyDNIXIDIKDJGRLA-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.95
Rot. Bonds5

About 1-(6-ethoxypyrimidin-4-yl)-4-ethylpiperidine-2-carboxylic acid

1-(6-ethoxypyrimidin-4-yl)-4-ethylpiperidine-2-carboxylic acid (PubChem CID 114427497) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(6-ethoxypyrimidin-4-yl)-4-ethylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(6-ethoxypyrimidin-4-yl)-4-ethylpiperidine-2-carboxylic acid
PubChem CID114427497
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name1-(6-ethoxypyrimidin-4-yl)-4-ethylpiperidine-2-carboxylic acid
SMILESCCOc1cc(N2CCC(CC)CC2C(=O)O)ncn1
InChIInChI=1S/C14H21N3O3/c1-3-10-5-6-17(11(7-10)14(18)19)12-8-13(20-4-2)16-9-15-12/h8-11H,3-7H2,1-2H3,(H,18,19)
InChIKeyDNIXIDIKDJGRLA-UHFFFAOYSA-N
XLogP1.95
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-1-(2-methylpyrimidin-4-yl)piperidine-2-carboxylic acid
CID 114427599
1-(5,6-dimethylpyrazin-2-yl)-4-ethylpiperidine-2-carboxylic acid
CID 114474690
2-[1-(6-ethoxypyrimidin-4-yl)azetidin-3-yl]acetic acid
CID 66319441
1-(6-methoxypyrimidin-4-yl)azocane-2-carboxylic acid
CID 114239764
1-(6-ethoxypyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 86795906
4-ethyl-1-(5-nitro-2-pyridinyl)piperidine-2-carboxylic acid
CID 114427543
7-(6-ethoxypyrimidin-4-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 66318337
4-ethyl-1-(4-propan-2-yloxypyrimidin-2-yl)piperidine-2-carboxylic acid
CID 114427636
4-ethyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidine-2-carboxylic acid
CID 114427477
4-ethoxy-6-(2-methylpyrrolidin-1-yl)pyrimidine
CID 133484854
1-(6-ethoxypyrimidin-4-yl)-4-methylpiperidin-3-ol
CID 86797858
4-ethyl-1-(4-methyl-3-oxopyrazin-2-yl)piperidine-2-carboxylic acid
CID 114427626

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethoxypyrimidin-4-yl)-4-ethylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(6-ethoxypyrimidin-4-yl)-4-ethylpiperidine-2-carboxylic acid (CID 114427497) is 1-(6-ethoxypyrimidin-4-yl)-4-ethylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(6-ethoxypyrimidin-4-yl)-4-ethylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(6-ethoxypyrimidin-4-yl)-4-ethylpiperidine-2-carboxylic acid is CCOc1cc(N2CCC(CC)CC2C(=O)O)ncn1.
What is the InChIKey of 1-(6-ethoxypyrimidin-4-yl)-4-ethylpiperidine-2-carboxylic acid?
The InChIKey is DNIXIDIKDJGRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-10-5-6-17(11(7-10)14(18)19)12-8-13(20-4-2)16-9-15-12/h8-11H,3-7H2,1-2H3,(H,18,19).
What are the key properties of 1-(6-ethoxypyrimidin-4-yl)-4-ethylpiperidine-2-carboxylic acid?
1-(6-ethoxypyrimidin-4-yl)-4-ethylpiperidine-2-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethoxypyrimidin-4-yl)-4-ethylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114427497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).