4-ethyl-1-(4-propan-2-yloxypyrimidin-2-yl)piperidine-2-carboxylic acid

C15H23N3O3 — CID 114427636

IUPAC4-ethyl-1-(4-propan-2-yloxypyrimidin-2-yl)piperidine-2-carboxylic acid
SMILESCCC1CCN(c2nccc(OC(C)C)n2)C(C(=O)O)C1
InChIInChI=1S/C15H23N3O3/c1-4-11-6-8-18(12(9-11)14(19)20)15-16-7-5-13(17-15)21-10(2)3/h5,7,10-12H,4,6,8-9H2,1-3H3,(H,19,20)
InChIKeyLAXBAWZPTLYELC-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.34
Rot. Bonds5

About 4-ethyl-1-(4-propan-2-yloxypyrimidin-2-yl)piperidine-2-carboxylic acid

4-ethyl-1-(4-propan-2-yloxypyrimidin-2-yl)piperidine-2-carboxylic acid (PubChem CID 114427636) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-ethyl-1-(4-propan-2-yloxypyrimidin-2-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(4-propan-2-yloxypyrimidin-2-yl)piperidine-2-carboxylic acid
PubChem CID114427636
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name4-ethyl-1-(4-propan-2-yloxypyrimidin-2-yl)piperidine-2-carboxylic acid
SMILESCCC1CCN(c2nccc(OC(C)C)n2)C(C(=O)O)C1
InChIInChI=1S/C15H23N3O3/c1-4-11-6-8-18(12(9-11)14(19)20)15-16-7-5-13(17-15)21-10(2)3/h5,7,10-12H,4,6,8-9H2,1-3H3,(H,19,20)
InChIKeyLAXBAWZPTLYELC-UHFFFAOYSA-N
XLogP2.34
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.34
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
2-[1-(4-propan-2-yloxypyrimidin-2-yl)pyrrolidin-3-yl]acetic acid
CID 112636156
4-ethyl-1-quinazolin-2-ylpiperidine-2-carboxylic acid
CID 114788663
4-ethyl-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperidine-2-carboxylic acid
CID 114427593
1-(4-ethoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid
CID 112635932
(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid
CID 93274420
1-(6-ethoxypyrimidin-4-yl)-4-ethylpiperidine-2-carboxylic acid
CID 114427497
7-(4-propan-2-yloxypyrimidin-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 115974159
2-[4-(1-bromoethyl)piperidin-1-yl]-4-propan-2-yloxypyrimidine
CID 106838630
N-methyl-2-[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-4-yl]ethanamine
CID 115975402
2-[2-(chloromethyl)pyrrolidin-1-yl]-4-propan-2-yloxypyrimidine
CID 112639218
1-(5,6-dimethylpyrazin-2-yl)-4-ethylpiperidine-2-carboxylic acid
CID 114474690

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(4-propan-2-yloxypyrimidin-2-yl)piperidine-2-carboxylic acid?
The IUPAC name of 4-ethyl-1-(4-propan-2-yloxypyrimidin-2-yl)piperidine-2-carboxylic acid (CID 114427636) is 4-ethyl-1-(4-propan-2-yloxypyrimidin-2-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(4-propan-2-yloxypyrimidin-2-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(4-propan-2-yloxypyrimidin-2-yl)piperidine-2-carboxylic acid is CCC1CCN(c2nccc(OC(C)C)n2)C(C(=O)O)C1.
What is the InChIKey of 4-ethyl-1-(4-propan-2-yloxypyrimidin-2-yl)piperidine-2-carboxylic acid?
The InChIKey is LAXBAWZPTLYELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-11-6-8-18(12(9-11)14(19)20)15-16-7-5-13(17-15)21-10(2)3/h5,7,10-12H,4,6,8-9H2,1-3H3,(H,19,20).
What are the key properties of 4-ethyl-1-(4-propan-2-yloxypyrimidin-2-yl)piperidine-2-carboxylic acid?
4-ethyl-1-(4-propan-2-yloxypyrimidin-2-yl)piperidine-2-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(4-propan-2-yloxypyrimidin-2-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 114427636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).