4-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]piperazin-2-one

C13H22N4O3 — CID 134038447

IUPAC4-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]piperazin-2-one
SMILESCC(=O)N1CCN(C(=O)C(C)N2CCNC(=O)C2)CC1
InChIInChI=1S/C13H22N4O3/c1-10(17-4-3-14-12(19)9-17)13(20)16-7-5-15(6-8-16)11(2)18/h10H,3-9H2,1-2H3,(H,14,19)
InChIKeyLKVFSFAPUBREEV-UHFFFAOYSA-N
MW282.34 g/mol
LogP-1.50
Rot. Bonds2

About 4-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]piperazin-2-one

4-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]piperazin-2-one (PubChem CID 134038447) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]piperazin-2-one.

Molecular Properties

Compound Name4-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]piperazin-2-one
PubChem CID134038447
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name4-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]piperazin-2-one
SMILESCC(=O)N1CCN(C(=O)C(C)N2CCNC(=O)C2)CC1
InChIInChI=1S/C13H22N4O3/c1-10(17-4-3-14-12(19)9-17)13(20)16-7-5-15(6-8-16)11(2)18/h10H,3-9H2,1-2H3,(H,14,19)
InChIKeyLKVFSFAPUBREEV-UHFFFAOYSA-N
XLogP-1.50
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 5-1.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-2-one
CID 134062732
4-acetylpiperazin-2-one
CID 12744517
4-(4-oxopentan-2-yl)piperazin-2-one
CID 64698316
3-methyl-2-(3-oxopiperazin-1-yl)butanoic acid
CID 43097633
(2R)-2-(3-oxopiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 8516481
(2S)-N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-yl)propanamide
CID 8516323
4-[(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]piperazin-2-one
CID 8549432
1-(4-acetylpiperazin-1-yl)-2,2-dimethylpropan-1-one;4-(2,2-dimethylpropanoyl)piperazin-2-one
CID 160882025
(2R)-N-(4-cyanophenyl)-2-(3-oxopiperazin-1-yl)propanamide
CID 2657138
4-(2-methylsulfanylpropanoyl)piperazin-2-one
CID 126998947
(2S)-2-(3-oxopiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 26304739
(2R)-N-(2-cyanophenyl)-2-(3-oxopiperazin-1-yl)propanamide
CID 8516450

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]piperazin-2-one?
The IUPAC name of 4-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]piperazin-2-one (CID 134038447) is 4-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]piperazin-2-one.
What is the SMILES notation for 4-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]piperazin-2-one?
The canonical SMILES for 4-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]piperazin-2-one is CC(=O)N1CCN(C(=O)C(C)N2CCNC(=O)C2)CC1.
What is the InChIKey of 4-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]piperazin-2-one?
The InChIKey is LKVFSFAPUBREEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-10(17-4-3-14-12(19)9-17)13(20)16-7-5-15(6-8-16)11(2)18/h10H,3-9H2,1-2H3,(H,14,19).
What are the key properties of 4-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]piperazin-2-one?
4-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]piperazin-2-one has a molecular weight of 282.34 g/mol, XLogP of -1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]piperazin-2-one is sourced from PubChem (CID 134038447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).