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

C16H32N2O2 — CID 143432565

IUPACethane;2-ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one
SMILESC=COC(=C)C(=O)N1CCN(CCC)CC1.CC.CC
InChIInChI=1S/C12H20N2O2.2C2H6/c1-4-6-13-7-9-14(10-8-13)12(15)11(3)16-5-2;2*1-2/h5H,2-4,6-10H2,1H3;2*1-2H3
InChIKeyNTXLJVIEVIQNST-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.27
Rot. Bonds5

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

ethane;2-ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one (PubChem CID 143432565) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is ethane;2-ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Nameethane;2-ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one
PubChem CID143432565
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Nameethane;2-ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one
SMILESC=COC(=C)C(=O)N1CCN(CCC)CC1.CC.CC
InChIInChI=1S/C12H20N2O2.2C2H6/c1-4-6-13-7-9-14(10-8-13)12(15)11(3)16-5-2;2*1-2/h5H,2-4,6-10H2,1H3;2*1-2H3
InChIKeyNTXLJVIEVIQNST-UHFFFAOYSA-N
XLogP3.27
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.27
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
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
2-Ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one
CID 143432566
Ethane;2-ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one
CID 143432940
(Z)-2-ethenoxy-1-(4-propylpiperazin-1-yl)but-2-en-1-one
CID 143432990
ethane;(Z)-2-ethenoxy-1-(4-propylpiperazin-1-yl)but-2-en-1-one
CID 143677725
2,3-Dihydro-1,4-dioxin-5-yl-(4-methylpiperazin-1-yl)methanone
CID 4418579
1-(2,5-Dimethyl-4-propylpiperazin-1-yl)-2-ethoxyprop-2-en-1-one
CID 21419103
2-Ethoxy-1-(2-methyl-4-propylpiperazin-1-yl)prop-2-en-1-one
CID 21419116
1-[4-(2-Methoxyacetyl)piperazin-1-yl]prop-2-en-1-one
CID 60949703

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one?
The IUPAC name of ethane;2-ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one (CID 143432565) is ethane;2-ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one.
What is the SMILES notation for ethane;2-ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one?
The canonical SMILES for ethane;2-ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one is C=COC(=C)C(=O)N1CCN(CCC)CC1.CC.CC.
What is the InChIKey of ethane;2-ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one?
The InChIKey is NTXLJVIEVIQNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2.2C2H6/c1-4-6-13-7-9-14(10-8-13)12(15)11(3)16-5-2;2*1-2/h5H,2-4,6-10H2,1H3;2*1-2H3.
What are the key properties of ethane;2-ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one?
ethane;2-ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one has a molecular weight of 284.44 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one is sourced from PubChem (CID 143432565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).