1-(5-ethylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidine-3-carboxylic acid

C15H23N3O3 — CID 56869620

IUPAC1-(5-ethylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidine-3-carboxylic acid
SMILESCCc1cnc(N2CCCC(CCOC)(C(=O)O)C2)nc1
InChIInChI=1S/C15H23N3O3/c1-3-12-9-16-14(17-10-12)18-7-4-5-15(11-18,13(19)20)6-8-21-2/h9-10H,3-8,11H2,1-2H3,(H,19,20)
InChIKeyAOEFAJUQBYOEGZ-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.75
Rot. Bonds6

About 1-(5-ethylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidine-3-carboxylic acid

1-(5-ethylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidine-3-carboxylic acid (PubChem CID 56869620) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-(5-ethylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-ethylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidine-3-carboxylic acid
PubChem CID56869620
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name1-(5-ethylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidine-3-carboxylic acid
SMILESCCc1cnc(N2CCCC(CCOC)(C(=O)O)C2)nc1
InChIInChI=1S/C15H23N3O3/c1-3-12-9-16-14(17-10-12)18-7-4-5-15(11-18,13(19)20)6-8-21-2/h9-10H,3-8,11H2,1-2H3,(H,19,20)
InChIKeyAOEFAJUQBYOEGZ-UHFFFAOYSA-N
XLogP1.75
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Ethyl-5-methyl-2-pyrimidinyl)-3-(2-methoxyethyl)-3-piperidinecarboxylic acid
CID 72865186
1-[4-(Ethylamino)-2-pyrimidinyl]-3-(2-methoxyethyl)-3-piperidinecarboxylic acid
CID 72915520
(3R)-1-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]-3-prop-2-enylpiperidine-3-carboxylic acid
CID 97152625
Methyl 2-[3-hydroxy-1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]acetate
CID 168150282
2-Methyl-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]propanoic acid
CID 168150362
1-[5-Fluoro-4-(methylamino)-2-pyrimidinyl]-3-(2-methoxyethyl)-3-piperidinecarboxylic acid
CID 72872904
3-(2-Methoxyethyl)-1-[4-(trifluoromethyl)-2-pyrimidinyl]-3-piperidinecarboxylic acid
CID 72915999
(3S)-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-3-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 97124686
(3R)-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-3-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 97124687
(3R)-3-(2-methoxyethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylic acid
CID 97145244
(3S)-3-(2-methoxyethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylic acid
CID 97145245
1-(5-Fluoropyrimidin-2-yl)-3-methylpiperidine-3-carboxylic acid
CID 104605915

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(5-ethylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidine-3-carboxylic acid (CID 56869620) is 1-(5-ethylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-ethylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(5-ethylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidine-3-carboxylic acid is CCc1cnc(N2CCCC(CCOC)(C(=O)O)C2)nc1.
What is the InChIKey of 1-(5-ethylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidine-3-carboxylic acid?
The InChIKey is AOEFAJUQBYOEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-12-9-16-14(17-10-12)18-7-4-5-15(11-18,13(19)20)6-8-21-2/h9-10H,3-8,11H2,1-2H3,(H,19,20).
What are the key properties of 1-(5-ethylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidine-3-carboxylic acid?
1-(5-ethylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidine-3-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 56869620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).