ethane;(Z)-2-ethenoxy-1-(4-propylpiperazin-1-yl)but-2-en-1-one

C15H28N2O2 — CID 143677725

IUPACethane;(Z)-2-ethenoxy-1-(4-propylpiperazin-1-yl)but-2-en-1-one
SMILESC=CO/C(=C\C)C(=O)N1CCN(CCC)CC1.CC
InChIInChI=1S/C13H22N2O2.C2H6/c1-4-7-14-8-10-15(11-9-14)13(16)12(5-2)17-6-3;1-2/h5-6H,3-4,7-11H2,1-2H3;1-2H3/b12-5-;
InChIKeyCBIQQFPXTPSEQU-UHPXVVQNSA-N
MW268.40 g/mol
LogP2.63
Rot. Bonds5

About ethane;(Z)-2-ethenoxy-1-(4-propylpiperazin-1-yl)but-2-en-1-one

ethane;(Z)-2-ethenoxy-1-(4-propylpiperazin-1-yl)but-2-en-1-one (PubChem CID 143677725) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is ethane;(Z)-2-ethenoxy-1-(4-propylpiperazin-1-yl)but-2-en-1-one.

Molecular Properties

Compound Nameethane;(Z)-2-ethenoxy-1-(4-propylpiperazin-1-yl)but-2-en-1-one
PubChem CID143677725
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nameethane;(Z)-2-ethenoxy-1-(4-propylpiperazin-1-yl)but-2-en-1-one
SMILESC=CO/C(=C\C)C(=O)N1CCN(CCC)CC1.CC
InChIInChI=1S/C13H22N2O2.C2H6/c1-4-7-14-8-10-15(11-9-14)13(16)12(5-2)17-6-3;1-2/h5-6H,3-4,7-11H2,1-2H3;1-2H3/b12-5-;
InChIKeyCBIQQFPXTPSEQU-UHPXVVQNSA-N
XLogP2.63
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5,6-Dihydro-1,4-dioxin-2-yl(4-ethyl-1-piperazinyl)methanone
CID 2359179
1-[3-[4-(2-Methoxyethyl)piperazin-1-yl]propyl]pyrrole-2,5-dione
CID 58051393
2,3-Dihydrofuran-5-yl-[4-(2,2-dimethylpropyl)piperazin-1-yl]methanone
CID 70950381
(2Z)-2-ethylidene-4,5-dimethylmorpholin-3-one
CID 89194290
ethane;(Z)-2-ethoxy-1-(4-methylpiperazin-1-yl)but-2-en-1-one
CID 141954450
(Z)-2-ethoxy-1-(4-methylpiperazin-1-yl)but-2-en-1-one
CID 141954451
1-(4-Tert-butylpiperazin-1-yl)-2-ethenoxyprop-2-en-1-one
CID 142196646
(4-ethylpiperazin-1-yl)-(4H-pyran-2-yl)methanone
CID 142266447
(4-methylpiperazin-1-yl)-(4H-pyran-2-yl)methanone
CID 143290782
2,3-Dihydrofuran-5-yl-(4-methylpiperazin-1-yl)methanone
CID 143306085
Ethane;2-ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one
CID 143432565
2-Ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one
CID 143432566

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-2-ethenoxy-1-(4-propylpiperazin-1-yl)but-2-en-1-one?
The IUPAC name of ethane;(Z)-2-ethenoxy-1-(4-propylpiperazin-1-yl)but-2-en-1-one (CID 143677725) is ethane;(Z)-2-ethenoxy-1-(4-propylpiperazin-1-yl)but-2-en-1-one.
What is the SMILES notation for ethane;(Z)-2-ethenoxy-1-(4-propylpiperazin-1-yl)but-2-en-1-one?
The canonical SMILES for ethane;(Z)-2-ethenoxy-1-(4-propylpiperazin-1-yl)but-2-en-1-one is C=CO/C(=C\C)C(=O)N1CCN(CCC)CC1.CC.
What is the InChIKey of ethane;(Z)-2-ethenoxy-1-(4-propylpiperazin-1-yl)but-2-en-1-one?
The InChIKey is CBIQQFPXTPSEQU-UHPXVVQNSA-N. The full InChI is InChI=1S/C13H22N2O2.C2H6/c1-4-7-14-8-10-15(11-9-14)13(16)12(5-2)17-6-3;1-2/h5-6H,3-4,7-11H2,1-2H3;1-2H3/b12-5-;.
What are the key properties of ethane;(Z)-2-ethenoxy-1-(4-propylpiperazin-1-yl)but-2-en-1-one?
ethane;(Z)-2-ethenoxy-1-(4-propylpiperazin-1-yl)but-2-en-1-one has a molecular weight of 268.40 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-2-ethenoxy-1-(4-propylpiperazin-1-yl)but-2-en-1-one is sourced from PubChem (CID 143677725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).