4-(4-acetylpiperazin-1-yl)-4-oxobutanoic acid

C10H16N2O4 — CID 851827

IUPAC4-(4-acetylpiperazin-1-yl)-4-oxobutanoic acid
SMILESCC(=O)N1CCN(C(=O)CCC(=O)O)CC1
InChIInChI=1S/C10H16N2O4/c1-8(13)11-4-6-12(7-5-11)9(14)2-3-10(15)16/h2-7H2,1H3,(H,15,16)
InChIKeyRSAMZHWOFXKAGI-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.46
Rot. Bonds3

About 4-(4-acetylpiperazin-1-yl)-4-oxobutanoic acid

4-(4-acetylpiperazin-1-yl)-4-oxobutanoic acid (PubChem CID 851827) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-(4-acetylpiperazin-1-yl)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(4-acetylpiperazin-1-yl)-4-oxobutanoic acid
PubChem CID851827
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name4-(4-acetylpiperazin-1-yl)-4-oxobutanoic acid
SMILESCC(=O)N1CCN(C(=O)CCC(=O)O)CC1
InChIInChI=1S/C10H16N2O4/c1-8(13)11-4-6-12(7-5-11)9(14)2-3-10(15)16/h2-7H2,1H3,(H,15,16)
InChIKeyRSAMZHWOFXKAGI-UHFFFAOYSA-N
XLogP-0.46
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperazin-1-yl)-4-oxobutanoic acid?
The IUPAC name of 4-(4-acetylpiperazin-1-yl)-4-oxobutanoic acid (CID 851827) is 4-(4-acetylpiperazin-1-yl)-4-oxobutanoic acid.
What is the SMILES notation for 4-(4-acetylpiperazin-1-yl)-4-oxobutanoic acid?
The canonical SMILES for 4-(4-acetylpiperazin-1-yl)-4-oxobutanoic acid is CC(=O)N1CCN(C(=O)CCC(=O)O)CC1.
What is the InChIKey of 4-(4-acetylpiperazin-1-yl)-4-oxobutanoic acid?
The InChIKey is RSAMZHWOFXKAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-8(13)11-4-6-12(7-5-11)9(14)2-3-10(15)16/h2-7H2,1H3,(H,15,16).
What are the key properties of 4-(4-acetylpiperazin-1-yl)-4-oxobutanoic acid?
4-(4-acetylpiperazin-1-yl)-4-oxobutanoic acid has a molecular weight of 228.25 g/mol, XLogP of -0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylpiperazin-1-yl)-4-oxobutanoic acid is sourced from PubChem (CID 851827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).