5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyrazine-2-carboxylic acid

C14H20N4O3 — CID 122047688

IUPAC5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyrazine-2-carboxylic acid
SMILESCC(C)(C)C(=O)N1CCN(c2cnc(C(=O)O)cn2)CC1
InChIInChI=1S/C14H20N4O3/c1-14(2,3)13(21)18-6-4-17(5-7-18)11-9-15-10(8-16-11)12(19)20/h8-9H,4-7H2,1-3H3,(H,19,20)
InChIKeyKECWEWPUMPEMPC-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.87
Rot. Bonds2

About 5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyrazine-2-carboxylic acid

5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyrazine-2-carboxylic acid (PubChem CID 122047688) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyrazine-2-carboxylic acid
PubChem CID122047688
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyrazine-2-carboxylic acid
SMILESCC(C)(C)C(=O)N1CCN(c2cnc(C(=O)O)cn2)CC1
InChIInChI=1S/C14H20N4O3/c1-14(2,3)13(21)18-6-4-17(5-7-18)11-9-15-10(8-16-11)12(19)20/h8-9H,4-7H2,1-3H3,(H,19,20)
InChIKeyKECWEWPUMPEMPC-UHFFFAOYSA-N
XLogP0.87
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methylpiperazin-1-yl)pyrazine-2-carboxylic acid;dihydrochloride
CID 170916735
5-(azetidin-1-yl)pyrazine-2-carboxylic acid
CID 117102504
5-[4-(2,4,4-trimethylpentan-2-yl)piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122058042
2,2-dimethyl-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]propan-1-one
CID 126853225
5-[4-[benzyl(methyl)carbamoyl]piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122053119
(4-methylpiperazin-1-yl)-[5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]methanone
CID 109278105
5-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122053080
5-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122053000
5-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)pyrazine-2-carboxylic acid
CID 122057108
5-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122054244
5-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122053202
1-[4-(5-amino-6-methyl-2-pyridinyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 82331730

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyrazine-2-carboxylic acid (CID 122047688) is 5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyrazine-2-carboxylic acid is CC(C)(C)C(=O)N1CCN(c2cnc(C(=O)O)cn2)CC1.
What is the InChIKey of 5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyrazine-2-carboxylic acid?
The InChIKey is KECWEWPUMPEMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-14(2,3)13(21)18-6-4-17(5-7-18)11-9-15-10(8-16-11)12(19)20/h8-9H,4-7H2,1-3H3,(H,19,20).
What are the key properties of 5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyrazine-2-carboxylic acid?
5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyrazine-2-carboxylic acid has a molecular weight of 292.34 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122047688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).