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

C16H20N6O3 — CID 56905708

IUPAC1-[6-(dimethylcarbamoyl)pyrazin-2-yl]-4-imidazol-1-ylpiperidine-4-carboxylic acid
SMILESCN(C)C(=O)c1cncc(N2CCC(C(=O)O)(n3ccnc3)CC2)n1
InChIInChI=1S/C16H20N6O3/c1-20(2)14(23)12-9-18-10-13(19-12)21-6-3-16(4-7-21,15(24)25)22-8-5-17-11-22/h5,8-11H,3-4,6-7H2,1-2H3,(H,24,25)
InChIKeyMKOKNCSQRKQRJY-UHFFFAOYSA-N
MW344.38 g/mol
LogP0.46
Rot. Bonds4

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

1-[6-(dimethylcarbamoyl)pyrazin-2-yl]-4-imidazol-1-ylpiperidine-4-carboxylic acid (PubChem CID 56905708) 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-imidazol-1-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[6-(dimethylcarbamoyl)pyrazin-2-yl]-4-imidazol-1-ylpiperidine-4-carboxylic acid
PubChem CID56905708
Molecular FormulaC16H20N6O3
Molecular Weight344.38 g/mol
Exact Mass344.16
IUPAC Name1-[6-(dimethylcarbamoyl)pyrazin-2-yl]-4-imidazol-1-ylpiperidine-4-carboxylic acid
SMILESCN(C)C(=O)c1cncc(N2CCC(C(=O)O)(n3ccnc3)CC2)n1
InChIInChI=1S/C16H20N6O3/c1-20(2)14(23)12-9-18-10-13(19-12)21-6-3-16(4-7-21,15(24)25)22-8-5-17-11-22/h5,8-11H,3-4,6-7H2,1-2H3,(H,24,25)
InChIKeyMKOKNCSQRKQRJY-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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Frequently Asked Questions

What is the IUPAC name of 1-[6-(dimethylcarbamoyl)pyrazin-2-yl]-4-imidazol-1-ylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[6-(dimethylcarbamoyl)pyrazin-2-yl]-4-imidazol-1-ylpiperidine-4-carboxylic acid (CID 56905708) is 1-[6-(dimethylcarbamoyl)pyrazin-2-yl]-4-imidazol-1-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[6-(dimethylcarbamoyl)pyrazin-2-yl]-4-imidazol-1-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[6-(dimethylcarbamoyl)pyrazin-2-yl]-4-imidazol-1-ylpiperidine-4-carboxylic acid is CN(C)C(=O)c1cncc(N2CCC(C(=O)O)(n3ccnc3)CC2)n1.
What is the InChIKey of 1-[6-(dimethylcarbamoyl)pyrazin-2-yl]-4-imidazol-1-ylpiperidine-4-carboxylic acid?
The InChIKey is MKOKNCSQRKQRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O3/c1-20(2)14(23)12-9-18-10-13(19-12)21-6-3-16(4-7-21,15(24)25)22-8-5-17-11-22/h5,8-11H,3-4,6-7H2,1-2H3,(H,24,25).
What are the key properties of 1-[6-(dimethylcarbamoyl)pyrazin-2-yl]-4-imidazol-1-ylpiperidine-4-carboxylic acid?
1-[6-(dimethylcarbamoyl)pyrazin-2-yl]-4-imidazol-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-imidazol-1-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 56905708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).