1-(4-acetylpiperazin-1-yl)-2-[(1,1-dioxothiolan-3-yl)-ethylamino]ethanone

C14H25N3O4S — CID 108996130

IUPAC1-(4-acetylpiperazin-1-yl)-2-[(1,1-dioxothiolan-3-yl)-ethylamino]ethanone
SMILESCCN(CC(=O)N1CCN(C(C)=O)CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H25N3O4S/c1-3-15(13-4-9-22(20,21)11-13)10-14(19)17-7-5-16(6-8-17)12(2)18/h13H,3-11H2,1-2H3
InChIKeyXIOARXMCDLEZMV-UHFFFAOYSA-N
MW331.44 g/mol
LogP-0.81
Rot. Bonds4

About 1-(4-acetylpiperazin-1-yl)-2-[(1,1-dioxothiolan-3-yl)-ethylamino]ethanone

1-(4-acetylpiperazin-1-yl)-2-[(1,1-dioxothiolan-3-yl)-ethylamino]ethanone (PubChem CID 108996130) has the molecular formula C14H25N3O4S and a molecular weight of 331.44 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-[(1,1-dioxothiolan-3-yl)-ethylamino]ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-[(1,1-dioxothiolan-3-yl)-ethylamino]ethanone
PubChem CID108996130
Molecular FormulaC14H25N3O4S
Molecular Weight331.44 g/mol
Exact Mass331.16
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-[(1,1-dioxothiolan-3-yl)-ethylamino]ethanone
SMILESCCN(CC(=O)N1CCN(C(C)=O)CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H25N3O4S/c1-3-15(13-4-9-22(20,21)11-13)10-14(19)17-7-5-16(6-8-17)12(2)18/h13H,3-11H2,1-2H3
InChIKeyXIOARXMCDLEZMV-UHFFFAOYSA-N
XLogP-0.81
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 5-0.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-acetylpiperazin-1-yl)-2-[(1,1-dioxothiolan-3-yl)-ethylamino]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

2-[(1,1-dioxothiolan-3-yl)-ethylamino]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 109003360
2-[(1,1-dioxothiolan-3-yl)-ethylamino]acetamide
CID 82040848
N-(1,1-dioxothiolan-3-yl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113164965
3-[(1,1-dioxothiolan-3-yl)-ethylamino]-1-piperidin-1-ylpropan-1-one
CID 109013810
1-(azepan-1-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone
CID 109001842
1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-[(1,1-dioxothiolan-3-yl)-propylamino]ethanone
CID 55627454
2-(4-acetylpiperazin-1-yl)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 55353747
2-[(1,1-dioxothiolan-3-yl)-[(4-methoxyphenyl)methyl]amino]-1-pyrrolidin-1-ylethanone
CID 78826539
3-[(1,1-dioxothiolan-3-yl)-propylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980404
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 55409034
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide
CID 108526939
1-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-(methylamino)propan-2-ol
CID 112501231

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[(1,1-dioxothiolan-3-yl)-ethylamino]ethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[(1,1-dioxothiolan-3-yl)-ethylamino]ethanone (CID 108996130) is 1-(4-acetylpiperazin-1-yl)-2-[(1,1-dioxothiolan-3-yl)-ethylamino]ethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-[(1,1-dioxothiolan-3-yl)-ethylamino]ethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-[(1,1-dioxothiolan-3-yl)-ethylamino]ethanone is CCN(CC(=O)N1CCN(C(C)=O)CC1)C1CCS(=O)(=O)C1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-[(1,1-dioxothiolan-3-yl)-ethylamino]ethanone?
The InChIKey is XIOARXMCDLEZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4S/c1-3-15(13-4-9-22(20,21)11-13)10-14(19)17-7-5-16(6-8-17)12(2)18/h13H,3-11H2,1-2H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-[(1,1-dioxothiolan-3-yl)-ethylamino]ethanone?
1-(4-acetylpiperazin-1-yl)-2-[(1,1-dioxothiolan-3-yl)-ethylamino]ethanone has a molecular weight of 331.44 g/mol, XLogP of -0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-[(1,1-dioxothiolan-3-yl)-ethylamino]ethanone is sourced from PubChem (CID 108996130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).