2-[4-(4-tert-butyl-3-oxopyrazin-2-yl)piperazin-1-yl]acetic acid

C14H22N4O3 — CID 62939430

IUPAC2-[4-(4-tert-butyl-3-oxopyrazin-2-yl)piperazin-1-yl]acetic acid
SMILESCC(C)(C)n1ccnc(N2CCN(CC(=O)O)CC2)c1=O
InChIInChI=1S/C14H22N4O3/c1-14(2,3)18-5-4-15-12(13(18)21)17-8-6-16(7-9-17)10-11(19)20/h4-5H,6-10H2,1-3H3,(H,19,20)
InChIKeySNOPVAAYJWFNLS-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.20
Rot. Bonds3

About 2-[4-(4-tert-butyl-3-oxopyrazin-2-yl)piperazin-1-yl]acetic acid

2-[4-(4-tert-butyl-3-oxopyrazin-2-yl)piperazin-1-yl]acetic acid (PubChem CID 62939430) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[4-(4-tert-butyl-3-oxopyrazin-2-yl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-tert-butyl-3-oxopyrazin-2-yl)piperazin-1-yl]acetic acid
PubChem CID62939430
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name2-[4-(4-tert-butyl-3-oxopyrazin-2-yl)piperazin-1-yl]acetic acid
SMILESCC(C)(C)n1ccnc(N2CCN(CC(=O)O)CC2)c1=O
InChIInChI=1S/C14H22N4O3/c1-14(2,3)18-5-4-15-12(13(18)21)17-8-6-16(7-9-17)10-11(19)20/h4-5H,6-10H2,1-3H3,(H,19,20)
InChIKeySNOPVAAYJWFNLS-UHFFFAOYSA-N
XLogP0.20
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-tert-butyl-3-[4-(2-chloroethyl)piperazin-1-yl]pyrazin-2-one
CID 63392177
2-[4-(3-oxo-4-propan-2-ylpyrazin-2-yl)-1,4-diazepan-1-yl]acetic acid
CID 62938921
3-[4-(bromomethyl)piperidin-1-yl]-1-tert-butylpyrazin-2-one
CID 80669820
1-tert-butyl-3-[4-(methylaminomethyl)piperidin-1-yl]pyrazin-2-one
CID 62928367
1-tert-butyl-3-(4-hydroxy-3-methylpiperidin-1-yl)pyrazin-2-one
CID 114680888
1-(4-tert-butyl-3-oxopyrazin-2-yl)-3-methylpiperidine-2-carboxylic acid
CID 107070229
3-(3-aminopyrrolidin-1-yl)-1-tert-butylpyrazin-2-one
CID 62927962
3-[4-(3-oxo-4-propan-2-ylpyrazin-2-yl)piperazin-1-yl]propanoic acid
CID 62939431
3-(1-tert-butylimidazol-2-yl)propanoic acid
CID 83879918
2-[(1-tert-butylimidazol-2-yl)amino]acetic acid
CID 115021038
1-tert-butyl-3-(2-methylimidazol-1-yl)pyrazin-2-one
CID 63812145
1-tert-butyl-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazin-2-one
CID 62929202

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-tert-butyl-3-oxopyrazin-2-yl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(4-tert-butyl-3-oxopyrazin-2-yl)piperazin-1-yl]acetic acid (CID 62939430) is 2-[4-(4-tert-butyl-3-oxopyrazin-2-yl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-tert-butyl-3-oxopyrazin-2-yl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(4-tert-butyl-3-oxopyrazin-2-yl)piperazin-1-yl]acetic acid is CC(C)(C)n1ccnc(N2CCN(CC(=O)O)CC2)c1=O.
What is the InChIKey of 2-[4-(4-tert-butyl-3-oxopyrazin-2-yl)piperazin-1-yl]acetic acid?
The InChIKey is SNOPVAAYJWFNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-14(2,3)18-5-4-15-12(13(18)21)17-8-6-16(7-9-17)10-11(19)20/h4-5H,6-10H2,1-3H3,(H,19,20).
What are the key properties of 2-[4-(4-tert-butyl-3-oxopyrazin-2-yl)piperazin-1-yl]acetic acid?
2-[4-(4-tert-butyl-3-oxopyrazin-2-yl)piperazin-1-yl]acetic acid has a molecular weight of 294.35 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-tert-butyl-3-oxopyrazin-2-yl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 62939430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).