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

C10H18N2O3 — CID 20992242

IUPAC4-(4-acetylpiperazin-1-yl)butanoic acid
SMILESCC(=O)N1CCN(CCCC(=O)O)CC1
InChIInChI=1S/C10H18N2O3/c1-9(13)12-7-5-11(6-8-12)4-2-3-10(14)15/h2-8H2,1H3,(H,14,15)
InChIKeyQDKAUFAMCQXRMT-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.02
Rot. Bonds4

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

4-(4-acetylpiperazin-1-yl)butanoic acid (PubChem CID 20992242) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 4-(4-acetylpiperazin-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(4-acetylpiperazin-1-yl)butanoic acid
PubChem CID20992242
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name4-(4-acetylpiperazin-1-yl)butanoic acid
SMILESCC(=O)N1CCN(CCCC(=O)O)CC1
InChIInChI=1S/C10H18N2O3/c1-9(13)12-7-5-11(6-8-12)4-2-3-10(14)15/h2-8H2,1H3,(H,14,15)
InChIKeyQDKAUFAMCQXRMT-UHFFFAOYSA-N
XLogP0.02
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(2-carboxyethyl)piperazin-1-yl]butanoic acid
CID 82323105
4-(4-acetylpiperazin-1-yl)butanoyl chloride
CID 39255372
6-(aziridin-1-yl)hexanoic acid
CID 141385441
4-(4-acetylpiperazin-1-yl)butanethioamide
CID 24700662
4-[4-(2-hydroxyethyl)piperazin-1-yl]butanoic acid
CID 22683899
4-[4-(4-aminobutyl)piperazin-1-yl]butanoic acid
CID 59708799
6-(4-acetyl-1,4-diazepan-1-yl)hexan-2-one
CID 55003112
1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 4739629
1-(4-pent-4-ynylpiperazin-1-yl)ethanone
CID 115872696
ethane;1-[4-(5-methylhexyl)piperazin-1-yl]ethanone
CID 169214701
ethane;1-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanone
CID 178104636
1-[4-[3-[4-(2,3-dimethylbut-2-enoyl)piperazin-1-yl]propyl]piperazin-1-yl]-2,3-dimethylbut-2-en-1-one
CID 54035488

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperazin-1-yl)butanoic acid?
The IUPAC name of 4-(4-acetylpiperazin-1-yl)butanoic acid (CID 20992242) is 4-(4-acetylpiperazin-1-yl)butanoic acid.
What is the SMILES notation for 4-(4-acetylpiperazin-1-yl)butanoic acid?
The canonical SMILES for 4-(4-acetylpiperazin-1-yl)butanoic acid is CC(=O)N1CCN(CCCC(=O)O)CC1.
What is the InChIKey of 4-(4-acetylpiperazin-1-yl)butanoic acid?
The InChIKey is QDKAUFAMCQXRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-9(13)12-7-5-11(6-8-12)4-2-3-10(14)15/h2-8H2,1H3,(H,14,15).
What are the key properties of 4-(4-acetylpiperazin-1-yl)butanoic acid?
4-(4-acetylpiperazin-1-yl)butanoic acid has a molecular weight of 214.26 g/mol, XLogP of 0.02, 4 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)butanoic acid is sourced from PubChem (CID 20992242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).