1-[6-(dimethylcarbamoyl)pyrazin-2-yl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid

C17H22N6O3 — CID 56899930

IUPAC1-[6-(dimethylcarbamoyl)pyrazin-2-yl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
SMILESCc1cnn(C2(C(=O)O)CCN(c3cncc(C(=O)N(C)C)n3)CC2)c1
InChIInChI=1S/C17H22N6O3/c1-12-8-19-23(11-12)17(16(25)26)4-6-22(7-5-17)14-10-18-9-13(20-14)15(24)21(2)3/h8-11H,4-7H2,1-3H3,(H,25,26)
InChIKeySHKSGOPADPEQNC-UHFFFAOYSA-N
MW358.40 g/mol
LogP0.76
Rot. Bonds4

About 1-[6-(dimethylcarbamoyl)pyrazin-2-yl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid

1-[6-(dimethylcarbamoyl)pyrazin-2-yl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid (PubChem CID 56899930) has the molecular formula C17H22N6O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1-[6-(dimethylcarbamoyl)pyrazin-2-yl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[6-(dimethylcarbamoyl)pyrazin-2-yl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
PubChem CID56899930
Molecular FormulaC17H22N6O3
Molecular Weight358.40 g/mol
Exact Mass358.18
IUPAC Name1-[6-(dimethylcarbamoyl)pyrazin-2-yl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
SMILESCc1cnn(C2(C(=O)O)CCN(c3cncc(C(=O)N(C)C)n3)CC2)c1
InChIInChI=1S/C17H22N6O3/c1-12-8-19-23(11-12)17(16(25)26)4-6-22(7-5-17)14-10-18-9-13(20-14)15(24)21(2)3/h8-11H,4-7H2,1-3H3,(H,25,26)
InChIKeySHKSGOPADPEQNC-UHFFFAOYSA-N
XLogP0.76
TPSA104.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-{[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-[(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-cyclopropylpyrimidin-5-yl)carbonyl]-4-(4-methyl-1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56904330
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-imidazol-1-yl)piperidine-4-carboxylic acid
CID 56905708
1-[6-(Dimethylcarbamoyl)pyrazin-2-yl]-4-(2-methylimidazol-1-yl)piperidine-4-carboxylic acid
CID 56905874

Frequently Asked Questions

What is the IUPAC name of 1-[6-(dimethylcarbamoyl)pyrazin-2-yl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-[6-(dimethylcarbamoyl)pyrazin-2-yl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid (CID 56899930) is 1-[6-(dimethylcarbamoyl)pyrazin-2-yl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[6-(dimethylcarbamoyl)pyrazin-2-yl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-[6-(dimethylcarbamoyl)pyrazin-2-yl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid is Cc1cnn(C2(C(=O)O)CCN(c3cncc(C(=O)N(C)C)n3)CC2)c1.
What is the InChIKey of 1-[6-(dimethylcarbamoyl)pyrazin-2-yl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
The InChIKey is SHKSGOPADPEQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O3/c1-12-8-19-23(11-12)17(16(25)26)4-6-22(7-5-17)14-10-18-9-13(20-14)15(24)21(2)3/h8-11H,4-7H2,1-3H3,(H,25,26).
What are the key properties of 1-[6-(dimethylcarbamoyl)pyrazin-2-yl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
1-[6-(dimethylcarbamoyl)pyrazin-2-yl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid has a molecular weight of 358.40 g/mol, XLogP of 0.76, 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-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56899930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).