3-ethyl-1-(3-oxo-4-propan-2-ylpyrazin-2-yl)piperidine-3-carboxylic acid

C15H23N3O3 — CID 63136577

IUPAC3-ethyl-1-(3-oxo-4-propan-2-ylpyrazin-2-yl)piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(c2nccn(C(C)C)c2=O)C1
InChIInChI=1S/C15H23N3O3/c1-4-15(14(20)21)6-5-8-17(10-15)12-13(19)18(11(2)3)9-7-16-12/h7,9,11H,4-6,8,10H2,1-3H3,(H,20,21)
InChIKeyIGOORMWRQKPFLZ-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.91
Rot. Bonds4

About 3-ethyl-1-(3-oxo-4-propan-2-ylpyrazin-2-yl)piperidine-3-carboxylic acid

3-ethyl-1-(3-oxo-4-propan-2-ylpyrazin-2-yl)piperidine-3-carboxylic acid (PubChem CID 63136577) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-ethyl-1-(3-oxo-4-propan-2-ylpyrazin-2-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(3-oxo-4-propan-2-ylpyrazin-2-yl)piperidine-3-carboxylic acid
PubChem CID63136577
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3-ethyl-1-(3-oxo-4-propan-2-ylpyrazin-2-yl)piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(c2nccn(C(C)C)c2=O)C1
InChIInChI=1S/C15H23N3O3/c1-4-15(14(20)21)6-5-8-17(10-15)12-13(19)18(11(2)3)9-7-16-12/h7,9,11H,4-6,8,10H2,1-3H3,(H,20,21)
InChIKeyIGOORMWRQKPFLZ-UHFFFAOYSA-N
XLogP1.91
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-cyclopropyl-3-oxopyrazin-2-yl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63147237
3-ethyl-1-(1-methylimidazol-2-yl)piperidine-3-carboxylic acid
CID 63136213
3-ethyl-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-3-carboxylic acid
CID 104729524
(3R)-3-ethyl-1-(5-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 97113802
2-[4-(3-oxo-4-propan-2-ylpyrazin-2-yl)-1,4-diazepan-1-yl]acetic acid
CID 62938921
1-(4-methyl-3-oxopyrazin-2-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 55166159
3-[4-(3-oxo-4-propan-2-ylpyrazin-2-yl)piperazin-1-yl]propanoic acid
CID 62939431
1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-3-ethylpiperidine-3-carboxylic acid
CID 55165311
1-(4-cyclopropyl-3-oxopyrazin-2-yl)-4-ethylpiperidine-4-carboxylic acid
CID 63125995
3-methyl-1-(3-oxo-4-propylpyrazin-2-yl)piperidine-3-carboxylic acid
CID 63135534
3-[4-(1-hydroxyethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one
CID 106837230
1-(2-carbamoyl-4-pyridinyl)-3-ethylpiperidine-3-carboxylic acid
CID 63136488

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-oxo-4-propan-2-ylpyrazin-2-yl)piperidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(3-oxo-4-propan-2-ylpyrazin-2-yl)piperidine-3-carboxylic acid (CID 63136577) is 3-ethyl-1-(3-oxo-4-propan-2-ylpyrazin-2-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(3-oxo-4-propan-2-ylpyrazin-2-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(3-oxo-4-propan-2-ylpyrazin-2-yl)piperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(c2nccn(C(C)C)c2=O)C1.
What is the InChIKey of 3-ethyl-1-(3-oxo-4-propan-2-ylpyrazin-2-yl)piperidine-3-carboxylic acid?
The InChIKey is IGOORMWRQKPFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-15(14(20)21)6-5-8-17(10-15)12-13(19)18(11(2)3)9-7-16-12/h7,9,11H,4-6,8,10H2,1-3H3,(H,20,21).
What are the key properties of 3-ethyl-1-(3-oxo-4-propan-2-ylpyrazin-2-yl)piperidine-3-carboxylic acid?
3-ethyl-1-(3-oxo-4-propan-2-ylpyrazin-2-yl)piperidine-3-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-oxo-4-propan-2-ylpyrazin-2-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 63136577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).