2-[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]propanoic acid

C13H18N4O3 — CID 62317076

IUPAC2-[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]propanoic acid
SMILESCc1cnc(C(=O)N2CCN(C(C)C(=O)O)CC2)cn1
InChIInChI=1S/C13H18N4O3/c1-9-7-15-11(8-14-9)12(18)17-5-3-16(4-6-17)10(2)13(19)20/h7-8,10H,3-6H2,1-2H3,(H,19,20)
InChIKeyJIVATBOTCNYPKJ-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.02
Rot. Bonds3

About 2-[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]propanoic acid

2-[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]propanoic acid (PubChem CID 62317076) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]propanoic acid
PubChem CID62317076
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name2-[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]propanoic acid
SMILESCc1cnc(C(=O)N2CCN(C(C)C(=O)O)CC2)cn1
InChIInChI=1S/C13H18N4O3/c1-9-7-15-11(8-14-9)12(18)17-5-3-16(4-6-17)10(2)13(19)20/h7-8,10H,3-6H2,1-2H3,(H,19,20)
InChIKeyJIVATBOTCNYPKJ-UHFFFAOYSA-N
XLogP0.02
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(5-chloropyrazine-2-carbonyl)piperazin-1-yl]propanoic acid
CID 107371501
(5-methylpyrazin-2-yl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 30547276
2-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid
CID 62315838
cyclopentyl-[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]methanone
CID 38390846
[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 95351959
(5-methylpyrazin-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 163346703
(3,5-dimethylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone
CID 42910146
(5-methylpyrazin-2-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334455
2-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]propanoic acid
CID 62317426
1,4-diazepan-1-yl-(5-methylpyrazin-2-yl)methanone;dihydrochloride
CID 119415283
2-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]propanoic acid
CID 62317773
2-[4-(3,5-dibromobenzoyl)piperazin-1-yl]propanoic acid
CID 107971361

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]propanoic acid (CID 62317076) is 2-[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]propanoic acid is Cc1cnc(C(=O)N2CCN(C(C)C(=O)O)CC2)cn1.
What is the InChIKey of 2-[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]propanoic acid?
The InChIKey is JIVATBOTCNYPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-9-7-15-11(8-14-9)12(18)17-5-3-16(4-6-17)10(2)13(19)20/h7-8,10H,3-6H2,1-2H3,(H,19,20).
What are the key properties of 2-[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]propanoic acid?
2-[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]propanoic acid has a molecular weight of 278.31 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 62317076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).