[(2S)-1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate

C14H19N5O4 — CID 30257378

IUPAC[(2S)-1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate
SMILESCC(=O)N1CCN(C(=O)[C@H](C)OC(=O)c2nccnc2N)CC1
InChIInChI=1S/C14H19N5O4/c1-9(23-14(22)11-12(15)17-4-3-16-11)13(21)19-7-5-18(6-8-19)10(2)20/h3-4,9H,5-8H2,1-2H3,(H2,15,17)/t9-/m0/s1
InChIKeyWWRJOPNGBCKJQR-VIFPVBQESA-N
MW321.34 g/mol
LogP-0.71
Rot. Bonds3

About [(2S)-1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate

[(2S)-1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate (PubChem CID 30257378) has the molecular formula C14H19N5O4 and a molecular weight of 321.34 g/mol. Its IUPAC name is [(2S)-1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate.

Molecular Properties

Compound Name[(2S)-1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate
PubChem CID30257378
Molecular FormulaC14H19N5O4
Molecular Weight321.34 g/mol
Exact Mass321.14
IUPAC Name[(2S)-1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate
SMILESCC(=O)N1CCN(C(=O)[C@H](C)OC(=O)c2nccnc2N)CC1
InChIInChI=1S/C14H19N5O4/c1-9(23-14(22)11-12(15)17-4-3-16-11)13(21)19-7-5-18(6-8-19)10(2)20/h3-4,9H,5-8H2,1-2H3,(H2,15,17)/t9-/m0/s1
InChIKeyWWRJOPNGBCKJQR-VIFPVBQESA-N
XLogP-0.71
TPSA118.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate?
The IUPAC name of [(2S)-1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate (CID 30257378) is [(2S)-1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate.
What is the SMILES notation for [(2S)-1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate?
The canonical SMILES for [(2S)-1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate is CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)c2nccnc2N)CC1.
What is the InChIKey of [(2S)-1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate?
The InChIKey is WWRJOPNGBCKJQR-VIFPVBQESA-N. The full InChI is InChI=1S/C14H19N5O4/c1-9(23-14(22)11-12(15)17-4-3-16-11)13(21)19-7-5-18(6-8-19)10(2)20/h3-4,9H,5-8H2,1-2H3,(H2,15,17)/t9-/m0/s1.
What are the key properties of [(2S)-1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate?
[(2S)-1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate has a molecular weight of 321.34 g/mol, XLogP of -0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate is sourced from PubChem (CID 30257378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).