1-[6-(dimethylcarbamoyl)pyrazin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid

C16H20N6O3 — CID 56910452

IUPAC1-[6-(dimethylcarbamoyl)pyrazin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
SMILESCN(C)C(=O)c1cncc(N2CCC(C(=O)O)(n3cccn3)CC2)n1
InChIInChI=1S/C16H20N6O3/c1-20(2)14(23)12-10-17-11-13(19-12)21-8-4-16(5-9-21,15(24)25)22-7-3-6-18-22/h3,6-7,10-11H,4-5,8-9H2,1-2H3,(H,24,25)
InChIKeyNEGIQQBXGKTLER-UHFFFAOYSA-N
MW344.38 g/mol
LogP0.46
Rot. Bonds4

About 1-[6-(dimethylcarbamoyl)pyrazin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid

1-[6-(dimethylcarbamoyl)pyrazin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid (PubChem CID 56910452) has the molecular formula C16H20N6O3 and a molecular weight of 344.38 g/mol. Its IUPAC name is 1-[6-(dimethylcarbamoyl)pyrazin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[6-(dimethylcarbamoyl)pyrazin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
PubChem CID56910452
Molecular FormulaC16H20N6O3
Molecular Weight344.38 g/mol
Exact Mass344.16
IUPAC Name1-[6-(dimethylcarbamoyl)pyrazin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
SMILESCN(C)C(=O)c1cncc(N2CCC(C(=O)O)(n3cccn3)CC2)n1
InChIInChI=1S/C16H20N6O3/c1-20(2)14(23)12-10-17-11-13(19-12)21-8-4-16(5-9-21,15(24)25)22-7-3-6-18-22/h3,6-7,10-11H,4-5,8-9H2,1-2H3,(H,24,25)
InChIKeyNEGIQQBXGKTLER-UHFFFAOYSA-N
XLogP0.46
TPSA104.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(4-methylpiperidin-1-yl)propyl]-5-pyrazol-1-ylpyrazine-2-carboxamide
CID 71917825
4-(1H-imidazol-1-yl)-1-[2-methyl-6-(1H-pyrazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 56885257
1-[6-(aminocarbonyl)pyrazin-2-yl]-4-(4-methyl-1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56885408
1-[(1-methyl-1H-imidazol-5-yl)carbonyl]-4-(4-methyl-1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56887214
1-(imidazo[1,2-a]pyrimidin-2-ylcarbonyl)-4-(4-methyl-1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56889173
1-[6-(aminocarbonyl)pyrazin-2-yl]-4-(3-isopropyl-1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56892565
1-(3-methoxypyrazin-2-yl)-4-(1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56897273
1-{6-[(dimethylamino)carbonyl]pyrazin-2-yl}-4-(4-methyl-1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56899930
1-[(2-ethylpyrimidin-5-yl)carbonyl]-4-(1H-imidazol-1-yl)piperidine-4-carboxylic acid
CID 56900345
4-(1H-imidazol-1-yl)-1-[(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)carbonyl]piperidine-4-carboxylic acid
CID 56900526
1-[(2-isopropylpyrimidin-4-yl)carbonyl]-4-(1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56902645
1-[(5-methylpyrazin-2-yl)carbonyl]-4-(4-methyl-1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56905249

Frequently Asked Questions

What is the IUPAC name of 1-[6-(dimethylcarbamoyl)pyrazin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[6-(dimethylcarbamoyl)pyrazin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid (CID 56910452) is 1-[6-(dimethylcarbamoyl)pyrazin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[6-(dimethylcarbamoyl)pyrazin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[6-(dimethylcarbamoyl)pyrazin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid is CN(C)C(=O)c1cncc(N2CCC(C(=O)O)(n3cccn3)CC2)n1.
What is the InChIKey of 1-[6-(dimethylcarbamoyl)pyrazin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The InChIKey is NEGIQQBXGKTLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O3/c1-20(2)14(23)12-10-17-11-13(19-12)21-8-4-16(5-9-21,15(24)25)22-7-3-6-18-22/h3,6-7,10-11H,4-5,8-9H2,1-2H3,(H,24,25).
What are the key properties of 1-[6-(dimethylcarbamoyl)pyrazin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
1-[6-(dimethylcarbamoyl)pyrazin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid has a molecular weight of 344.38 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(dimethylcarbamoyl)pyrazin-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 56910452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).