ethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate

C16H30N4O4 — CID 23424429

IUPACethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CCN2CCN(C(=O)OCC)CC2)CC1
InChIInChI=1S/C16H30N4O4/c1-3-23-15(21)19-11-7-17(8-12-19)5-6-18-9-13-20(14-10-18)16(22)24-4-2/h3-14H2,1-2H3
InChIKeyJFKLEBCYGWCBAL-UHFFFAOYSA-N
MW342.44 g/mol
LogP0.53
Rot. Bonds5

About ethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate

ethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate (PubChem CID 23424429) has the molecular formula C16H30N4O4 and a molecular weight of 342.44 g/mol. Its IUPAC name is ethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate
PubChem CID23424429
Molecular FormulaC16H30N4O4
Molecular Weight342.44 g/mol
Exact Mass342.23
IUPAC Nameethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CCN2CCN(C(=O)OCC)CC2)CC1
InChIInChI=1S/C16H30N4O4/c1-3-23-15(21)19-11-7-17(8-12-19)5-6-18-9-13-20(14-10-18)16(22)24-4-2/h3-14H2,1-2H3
InChIKeyJFKLEBCYGWCBAL-UHFFFAOYSA-N
XLogP0.53
TPSA65.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]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-hexylpiperazine-1-carboxylate
CID 78822686
ethyl 4-(3,3,3-trifluoropropyl)piperazine-1-carboxylate
CID 171145567
ethyl 4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate
CID 108522953
ethyl 4-(2-aminoethyl)-1,4-diazepane-1-carboxylate
CID 43252392
ethyl 4-(5-oxohexyl)piperazine-1-carboxylate
CID 107877302
CID 58181055
CID 58181055
ethyl 4-(2-azidoethyl)piperazine-1-carboxylate
CID 107877648
ethyl 4-carbamoylpiperazine-1-carboxylate
CID 82076471
ethyl 4-[2-(azetidin-3-yl)ethyl]piperazine-1-carboxylate
CID 114011837
ethyl azetidine-1-carboxylate
CID 14088501
ethyl 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]piperazine-1-carboxylate
CID 3049465
ethyl 4-(2-hydrazinyl-2-oxoethyl)piperazine-1-carboxylate
CID 107877747

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate (CID 23424429) is ethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(CCN2CCN(C(=O)OCC)CC2)CC1.
What is the InChIKey of ethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate?
The InChIKey is JFKLEBCYGWCBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O4/c1-3-23-15(21)19-11-7-17(8-12-19)5-6-18-9-13-20(14-10-18)16(22)24-4-2/h3-14H2,1-2H3.
What are the key properties of ethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate?
ethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate has a molecular weight of 342.44 g/mol, XLogP of 0.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 23424429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).