ethyl 4-(4-acetylpiperazine-1-carbonyl)piperazine-1-carboxylate

C14H24N4O4 — CID 108988666

IUPACethyl 4-(4-acetylpiperazine-1-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)N2CCN(C(C)=O)CC2)CC1
InChIInChI=1S/C14H24N4O4/c1-3-22-14(21)18-10-8-17(9-11-18)13(20)16-6-4-15(5-7-16)12(2)19/h3-11H2,1-2H3
InChIKeyULYCBNOIZJZYJE-UHFFFAOYSA-N
MW312.37 g/mol
LogP0.04
Rot. Bonds1

About ethyl 4-(4-acetylpiperazine-1-carbonyl)piperazine-1-carboxylate

ethyl 4-(4-acetylpiperazine-1-carbonyl)piperazine-1-carboxylate (PubChem CID 108988666) has the molecular formula C14H24N4O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is ethyl 4-(4-acetylpiperazine-1-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-acetylpiperazine-1-carbonyl)piperazine-1-carboxylate
PubChem CID108988666
Molecular FormulaC14H24N4O4
Molecular Weight312.37 g/mol
Exact Mass312.18
IUPAC Nameethyl 4-(4-acetylpiperazine-1-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)N2CCN(C(C)=O)CC2)CC1
InChIInChI=1S/C14H24N4O4/c1-3-22-14(21)18-10-8-17(9-11-18)13(20)16-6-4-15(5-7-16)12(2)19/h3-11H2,1-2H3
InChIKeyULYCBNOIZJZYJE-UHFFFAOYSA-N
XLogP0.04
TPSA73.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 4-(4-acetylpiperazine-1-carbonyl)piperazine-1-carboxylate 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

Ethyl 4-(morpholine-4-carbonyl)piperazine-1-carboxylate
CID 669633
1-Piperazinecarboxylic acid, 4,4'-methylenedi-, diethyl ester
CID 116097
Ethyl 4-[2-(4-ethylpiperazin-1-yl)acetyl]piperazine-1-carboxylate
CID 2095923
Tert-butyl 4-(4-acetylpiperazine-1-carbonyl)piperazine-1-carboxylate
CID 20716162
1-Piperazinecarboxylic acid, 4,4a(2)-ethylenedi-, diethyl ester
CID 23424429
Ethyl 4-(diethylcarbamoyl)piperazine-1-carboxylate
CID 60758889
1-[4-(4-Methylpiperazine-1-carbonyl)piperazin-1-yl]ethanone
CID 89778238
1-[4-(4-Acetylpiperazine-1-carbonyl)piperazin-1-yl]ethanone
CID 108988651
Ethyl 3-(4-acetylpiperazin-1-yl)piperazine-1-carboxylate
CID 123646721
1-[4-(4-Acetyl-1-methylpiperazin-2-yl)piperazin-1-yl]ethanone
CID 149643166
Ethyl 4-(4-ethyl-2,3-dioxopiperazine-1-carbonyl)piperazine-1-carboxylate
CID 3788038
Ethyl 4-(dimethylcarbamoyl)piperazine-1-carboxylate
CID 4352136

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-acetylpiperazine-1-carbonyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(4-acetylpiperazine-1-carbonyl)piperazine-1-carboxylate (CID 108988666) is ethyl 4-(4-acetylpiperazine-1-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-acetylpiperazine-1-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(4-acetylpiperazine-1-carbonyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)N2CCN(C(C)=O)CC2)CC1.
What is the InChIKey of ethyl 4-(4-acetylpiperazine-1-carbonyl)piperazine-1-carboxylate?
The InChIKey is ULYCBNOIZJZYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O4/c1-3-22-14(21)18-10-8-17(9-11-18)13(20)16-6-4-15(5-7-16)12(2)19/h3-11H2,1-2H3.
What are the key properties of ethyl 4-(4-acetylpiperazine-1-carbonyl)piperazine-1-carboxylate?
ethyl 4-(4-acetylpiperazine-1-carbonyl)piperazine-1-carboxylate has a molecular weight of 312.37 g/mol, XLogP of 0.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-acetylpiperazine-1-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 108988666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).