ethyl 3-[4-(3-ethoxy-3-oxopropyl)piperazin-1-yl]propanoate

C14H26N2O4 — CID 1104845

IUPACethyl 3-[4-(3-ethoxy-3-oxopropyl)piperazin-1-yl]propanoate
SMILESCCOC(=O)CCN1CCN(CCC(=O)OCC)CC1
InChIInChI=1S/C14H26N2O4/c1-3-19-13(17)5-7-15-9-11-16(12-10-15)8-6-14(18)20-4-2/h3-12H2,1-2H3
InChIKeyNHSDIZSYJOGUJB-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.51
Rot. Bonds8

About ethyl 3-[4-(3-ethoxy-3-oxopropyl)piperazin-1-yl]propanoate

ethyl 3-[4-(3-ethoxy-3-oxopropyl)piperazin-1-yl]propanoate (PubChem CID 1104845) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is ethyl 3-[4-(3-ethoxy-3-oxopropyl)piperazin-1-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[4-(3-ethoxy-3-oxopropyl)piperazin-1-yl]propanoate
PubChem CID1104845
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Nameethyl 3-[4-(3-ethoxy-3-oxopropyl)piperazin-1-yl]propanoate
SMILESCCOC(=O)CCN1CCN(CCC(=O)OCC)CC1
InChIInChI=1S/C14H26N2O4/c1-3-19-13(17)5-7-15-9-11-16(12-10-15)8-6-14(18)20-4-2/h3-12H2,1-2H3
InChIKeyNHSDIZSYJOGUJB-UHFFFAOYSA-N
XLogP0.51
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-(3-ethoxy-3-oxopropyl)piperazin-1-yl]propanoate?
The IUPAC name of ethyl 3-[4-(3-ethoxy-3-oxopropyl)piperazin-1-yl]propanoate (CID 1104845) is ethyl 3-[4-(3-ethoxy-3-oxopropyl)piperazin-1-yl]propanoate.
What is the SMILES notation for ethyl 3-[4-(3-ethoxy-3-oxopropyl)piperazin-1-yl]propanoate?
The canonical SMILES for ethyl 3-[4-(3-ethoxy-3-oxopropyl)piperazin-1-yl]propanoate is CCOC(=O)CCN1CCN(CCC(=O)OCC)CC1.
What is the InChIKey of ethyl 3-[4-(3-ethoxy-3-oxopropyl)piperazin-1-yl]propanoate?
The InChIKey is NHSDIZSYJOGUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-3-19-13(17)5-7-15-9-11-16(12-10-15)8-6-14(18)20-4-2/h3-12H2,1-2H3.
What are the key properties of ethyl 3-[4-(3-ethoxy-3-oxopropyl)piperazin-1-yl]propanoate?
ethyl 3-[4-(3-ethoxy-3-oxopropyl)piperazin-1-yl]propanoate has a molecular weight of 286.37 g/mol, XLogP of 0.51, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-(3-ethoxy-3-oxopropyl)piperazin-1-yl]propanoate is sourced from PubChem (CID 1104845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).