4-(4-acetylpiperazin-1-yl)-4-oxobutanoate

C10H15N2O4- — CID 6950009

IUPAC4-(4-acetylpiperazin-1-yl)-4-oxobutanoate
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)/p-1
InChIKeyRSAMZHWOFXKAGI-UHFFFAOYSA-M
MW227.24 g/mol
LogP-1.79
Rot. Bonds3

About 4-(4-acetylpiperazin-1-yl)-4-oxobutanoate

4-(4-acetylpiperazin-1-yl)-4-oxobutanoate (PubChem CID 6950009) has the molecular formula C10H15N2O4- and a molecular weight of 227.24 g/mol. Its IUPAC name is 4-(4-acetylpiperazin-1-yl)-4-oxobutanoate.

Molecular Properties

Compound Name4-(4-acetylpiperazin-1-yl)-4-oxobutanoate
PubChem CID6950009
Molecular FormulaC10H15N2O4-
Molecular Weight227.24 g/mol
Exact Mass227.10
IUPAC Name4-(4-acetylpiperazin-1-yl)-4-oxobutanoate
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)/p-1
InChIKeyRSAMZHWOFXKAGI-UHFFFAOYSA-M
XLogP-1.79
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 5-1.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(4-acetylpiperazin-1-yl)-4-oxobutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperazin-1-yl)-4-oxobutanoate?
The IUPAC name of 4-(4-acetylpiperazin-1-yl)-4-oxobutanoate (CID 6950009) is 4-(4-acetylpiperazin-1-yl)-4-oxobutanoate.
What is the SMILES notation for 4-(4-acetylpiperazin-1-yl)-4-oxobutanoate?
The canonical SMILES for 4-(4-acetylpiperazin-1-yl)-4-oxobutanoate is CC(=O)N1CCN(C(=O)CCC(=O)[O-])CC1.
What is the InChIKey of 4-(4-acetylpiperazin-1-yl)-4-oxobutanoate?
The InChIKey is RSAMZHWOFXKAGI-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 4-(4-acetylpiperazin-1-yl)-4-oxobutanoate?
4-(4-acetylpiperazin-1-yl)-4-oxobutanoate has a molecular weight of 227.24 g/mol, XLogP of -1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylpiperazin-1-yl)-4-oxobutanoate is sourced from PubChem (CID 6950009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).