ethyl 4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate

C15H26N4O5 — CID 108522953

IUPACethyl 4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C(=O)N2CCN(CCO)CC2)CC1
InChIInChI=1S/C15H26N4O5/c1-2-24-15(23)19-9-7-18(8-10-19)14(22)13(21)17-5-3-16(4-6-17)11-12-20/h20H,2-12H2,1H3
InChIKeyUYJXVBCDIHXPCJ-UHFFFAOYSA-N
MW342.40 g/mol
LogP-1.58
Rot. Bonds3

About ethyl 4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate

ethyl 4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate (PubChem CID 108522953) has the molecular formula C15H26N4O5 and a molecular weight of 342.40 g/mol. Its IUPAC name is ethyl 4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate
PubChem CID108522953
Molecular FormulaC15H26N4O5
Molecular Weight342.40 g/mol
Exact Mass342.19
IUPAC Nameethyl 4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C(=O)N2CCN(CCO)CC2)CC1
InChIInChI=1S/C15H26N4O5/c1-2-24-15(23)19-9-7-18(8-10-19)14(22)13(21)17-5-3-16(4-6-17)11-12-20/h20H,2-12H2,1H3
InChIKeyUYJXVBCDIHXPCJ-UHFFFAOYSA-N
XLogP-1.58
TPSA93.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 5-1.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetate
CID 60894850
ethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate
CID 23424429
2-methylpropyl 4-(2-hydroxyethyl)piperazine-1-carboxylate
CID 43393114
ethyl 4-hexylpiperazine-1-carboxylate
CID 78822686
ethyl 4-(3,3,3-trifluoropropyl)piperazine-1-carboxylate
CID 171145567
ethyl 4-(2-oxo-2-piperazin-1-ylacetyl)piperazine-1-carboxylate
CID 28507309
2,2,2-trifluoroethyl 4-(2-hydroxyethyl)piperazine-1-carboxylate
CID 63373740
ethyl 4-(2-aminoethyl)-1,4-diazepane-1-carboxylate
CID 43252392
ethyl 4-(2,3-dihydroxypropyl)piperazine-1-carboxylate
CID 85186263
ethyl 4-(5-oxohexyl)piperazine-1-carboxylate
CID 107877302
CID 58181055
CID 58181055
CID 58731641
CID 58731641

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate (CID 108522953) is ethyl 4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)C(=O)N2CCN(CCO)CC2)CC1.
What is the InChIKey of ethyl 4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate?
The InChIKey is UYJXVBCDIHXPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O5/c1-2-24-15(23)19-9-7-18(8-10-19)14(22)13(21)17-5-3-16(4-6-17)11-12-20/h20H,2-12H2,1H3.
What are the key properties of ethyl 4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate?
ethyl 4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate has a molecular weight of 342.40 g/mol, XLogP of -1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate is sourced from PubChem (CID 108522953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).