1-(4-ethyl-5-methylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidine-3-carboxylic acid

C16H25N3O3 — CID 72865186

IUPAC1-(4-ethyl-5-methylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidine-3-carboxylic acid
SMILESCCc1nc(N2CCCC(CCOC)(C(=O)O)C2)ncc1C
InChIInChI=1S/C16H25N3O3/c1-4-13-12(2)10-17-15(18-13)19-8-5-6-16(11-19,14(20)21)7-9-22-3/h10H,4-9,11H2,1-3H3,(H,20,21)
InChIKeyIPUQJJPKZDVUBX-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.06
Rot. Bonds6

About 1-(4-ethyl-5-methylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidine-3-carboxylic acid

1-(4-ethyl-5-methylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidine-3-carboxylic acid (PubChem CID 72865186) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-(4-ethyl-5-methylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-ethyl-5-methylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidine-3-carboxylic acid
PubChem CID72865186
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name1-(4-ethyl-5-methylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidine-3-carboxylic acid
SMILESCCc1nc(N2CCCC(CCOC)(C(=O)O)C2)ncc1C
InChIInChI=1S/C16H25N3O3/c1-4-13-12(2)10-17-15(18-13)19-8-5-6-16(11-19,14(20)21)7-9-22-3/h10H,4-9,11H2,1-3H3,(H,20,21)
InChIKeyIPUQJJPKZDVUBX-UHFFFAOYSA-N
XLogP2.06
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-5-methylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(4-ethyl-5-methylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidine-3-carboxylic acid (CID 72865186) is 1-(4-ethyl-5-methylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-ethyl-5-methylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(4-ethyl-5-methylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidine-3-carboxylic acid is CCc1nc(N2CCCC(CCOC)(C(=O)O)C2)ncc1C.
What is the InChIKey of 1-(4-ethyl-5-methylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidine-3-carboxylic acid?
The InChIKey is IPUQJJPKZDVUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-4-13-12(2)10-17-15(18-13)19-8-5-6-16(11-19,14(20)21)7-9-22-3/h10H,4-9,11H2,1-3H3,(H,20,21).
What are the key properties of 1-(4-ethyl-5-methylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidine-3-carboxylic acid?
1-(4-ethyl-5-methylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidine-3-carboxylic acid has a molecular weight of 307.39 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-5-methylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 72865186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).