1-(6-carbamoylpyrazin-2-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid

C15H18N6O3 — CID 56885408

IUPAC1-(6-carbamoylpyrazin-2-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
SMILESCc1cnn(C2(C(=O)O)CCN(c3cncc(C(N)=O)n3)CC2)c1
InChIInChI=1S/C15H18N6O3/c1-10-6-18-21(9-10)15(14(23)24)2-4-20(5-3-15)12-8-17-7-11(19-12)13(16)22/h6-9H,2-5H2,1H3,(H2,16,22)(H,23,24)
InChIKeyHYTFAVLNOZEGHP-UHFFFAOYSA-N
MW330.35 g/mol
LogP0.16
Rot. Bonds4

About 1-(6-carbamoylpyrazin-2-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid

1-(6-carbamoylpyrazin-2-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid (PubChem CID 56885408) has the molecular formula C15H18N6O3 and a molecular weight of 330.35 g/mol. Its IUPAC name is 1-(6-carbamoylpyrazin-2-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(6-carbamoylpyrazin-2-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
PubChem CID56885408
Molecular FormulaC15H18N6O3
Molecular Weight330.35 g/mol
Exact Mass330.14
IUPAC Name1-(6-carbamoylpyrazin-2-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
SMILESCc1cnn(C2(C(=O)O)CCN(c3cncc(C(N)=O)n3)CC2)c1
InChIInChI=1S/C15H18N6O3/c1-10-6-18-21(9-10)15(14(23)24)2-4-20(5-3-15)12-8-17-7-11(19-12)13(16)22/h6-9H,2-5H2,1H3,(H2,16,22)(H,23,24)
InChIKeyHYTFAVLNOZEGHP-UHFFFAOYSA-N
XLogP0.16
TPSA127.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(1-Methylpyrazol-4-yl)amino]-5-piperidin-1-ylpyrazine-2-carboxamide
CID 124120586
[(3R)-1-[5-carbamoyl-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]piperidin-3-yl]carbamic acid
CID 155060205
[1-[5-Carbamoyl-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]piperidin-3-yl]carbamic acid
CID 155060208
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-{[2-(ethylamino)pyrimidin-5-yl]carbonyl}-4-(4-methyl-1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56890986
1-[6-(aminocarbonyl)pyrazin-2-yl]-4-(3-isopropyl-1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56892565
1-{6-[(dimethylamino)carbonyl]pyrazin-2-yl}-4-(4-methyl-1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56899930
1-{[2-(methylamino)pyrimidin-5-yl]carbonyl}-4-(4-methyl-1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56904493
1-[(5-methylpyrazin-2-yl)carbonyl]-4-(4-methyl-1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56905249
1-{6-[(dimethylamino)carbonyl]pyrazin-2-yl}-4-(1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56910452
1-(3-methoxypyrazin-2-yl)-4-(4-methyl-1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56918673

Frequently Asked Questions

What is the IUPAC name of 1-(6-carbamoylpyrazin-2-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(6-carbamoylpyrazin-2-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid (CID 56885408) is 1-(6-carbamoylpyrazin-2-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(6-carbamoylpyrazin-2-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(6-carbamoylpyrazin-2-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid is Cc1cnn(C2(C(=O)O)CCN(c3cncc(C(N)=O)n3)CC2)c1.
What is the InChIKey of 1-(6-carbamoylpyrazin-2-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
The InChIKey is HYTFAVLNOZEGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O3/c1-10-6-18-21(9-10)15(14(23)24)2-4-20(5-3-15)12-8-17-7-11(19-12)13(16)22/h6-9H,2-5H2,1H3,(H2,16,22)(H,23,24).
What are the key properties of 1-(6-carbamoylpyrazin-2-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
1-(6-carbamoylpyrazin-2-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid has a molecular weight of 330.35 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-carbamoylpyrazin-2-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56885408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).