1-(4-acetylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione

C19H26N4O3 — CID 108508453

IUPAC1-(4-acetylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione
SMILESCC(=O)N1CCN(C(=O)C(=O)N2CCN(c3cccc(C)c3)CC2)CC1
InChIInChI=1S/C19H26N4O3/c1-15-4-3-5-17(14-15)21-8-12-23(13-9-21)19(26)18(25)22-10-6-20(7-11-22)16(2)24/h3-5,14H,6-13H2,1-2H3
InChIKeyLDUVZNKNCSDJLQ-UHFFFAOYSA-N
MW358.44 g/mol
LogP0.33
Rot. Bonds1

About 1-(4-acetylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione

1-(4-acetylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione (PubChem CID 108508453) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione
PubChem CID108508453
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione
SMILESCC(=O)N1CCN(C(=O)C(=O)N2CCN(c3cccc(C)c3)CC2)CC1
InChIInChI=1S/C19H26N4O3/c1-15-4-3-5-17(14-15)21-8-12-23(13-9-21)19(26)18(25)22-10-6-20(7-11-22)16(2)24/h3-5,14H,6-13H2,1-2H3
InChIKeyLDUVZNKNCSDJLQ-UHFFFAOYSA-N
XLogP0.33
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-dimethylpiperidin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione
CID 108520633
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione
CID 108985960
2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 24697448
N-(3-methylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108515725
N-(2-acetamidoethyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108531247
4-(3-methylphenyl)piperazine-1-carbohydrazide
CID 43163880
2,2-dimethyl-1-[4-(3-methylphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958401
2-chloro-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 4741226
N-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108515042
4-[4-(3-methylphenyl)piperazine-1-carbonyl]piperazine-1-carbaldehyde
CID 108988584
4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051711
4-[4-(3-methylphenyl)piperazin-1-yl]-4-oxobut-2-enoic acid
CID 57367851

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione (CID 108508453) is 1-(4-acetylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione is CC(=O)N1CCN(C(=O)C(=O)N2CCN(c3cccc(C)c3)CC2)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione?
The InChIKey is LDUVZNKNCSDJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-15-4-3-5-17(14-15)21-8-12-23(13-9-21)19(26)18(25)22-10-6-20(7-11-22)16(2)24/h3-5,14H,6-13H2,1-2H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione?
1-(4-acetylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione has a molecular weight of 358.44 g/mol, XLogP of 0.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione is sourced from PubChem (CID 108508453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).