2-ethoxy-1-(2-methyl-4-propylpiperazin-1-yl)prop-2-en-1-one

C13H24N2O2 — CID 21419116

IUPAC2-ethoxy-1-(2-methyl-4-propylpiperazin-1-yl)prop-2-en-1-one
SMILESC=C(OCC)C(=O)N1CCN(CCC)CC1C
InChIInChI=1S/C13H24N2O2/c1-5-7-14-8-9-15(11(3)10-14)13(16)12(4)17-6-2/h11H,4-10H2,1-3H3
InChIKeyNYXBRCSUBDLRKQ-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.48
Rot. Bonds5

About 2-ethoxy-1-(2-methyl-4-propylpiperazin-1-yl)prop-2-en-1-one

2-ethoxy-1-(2-methyl-4-propylpiperazin-1-yl)prop-2-en-1-one (PubChem CID 21419116) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-ethoxy-1-(2-methyl-4-propylpiperazin-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name2-ethoxy-1-(2-methyl-4-propylpiperazin-1-yl)prop-2-en-1-one
PubChem CID21419116
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-ethoxy-1-(2-methyl-4-propylpiperazin-1-yl)prop-2-en-1-one
SMILESC=C(OCC)C(=O)N1CCN(CCC)CC1C
InChIInChI=1S/C13H24N2O2/c1-5-7-14-8-9-15(11(3)10-14)13(16)12(4)17-6-2/h11H,4-10H2,1-3H3
InChIKeyNYXBRCSUBDLRKQ-UHFFFAOYSA-N
XLogP1.48
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.48
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
2-ethoxy-N-methyl-N-propylacrylamide
CID 85969611
2-ethoxy-N-isopropyl-N-methylacrylamide
CID 85969616
N-[2-(Morpholin-4-yl)ethyl]-N-(propan-2-yl)prop-2-enamide
CID 298955
2,3-Dihydro-1,4-dioxin-5-yl-(4-ethylpiperazin-1-yl)methanone;hydrochloride
CID 16239128
(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
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
Ethane;2-ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one
CID 143432940

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(2-methyl-4-propylpiperazin-1-yl)prop-2-en-1-one?
The IUPAC name of 2-ethoxy-1-(2-methyl-4-propylpiperazin-1-yl)prop-2-en-1-one (CID 21419116) is 2-ethoxy-1-(2-methyl-4-propylpiperazin-1-yl)prop-2-en-1-one.
What is the SMILES notation for 2-ethoxy-1-(2-methyl-4-propylpiperazin-1-yl)prop-2-en-1-one?
The canonical SMILES for 2-ethoxy-1-(2-methyl-4-propylpiperazin-1-yl)prop-2-en-1-one is C=C(OCC)C(=O)N1CCN(CCC)CC1C.
What is the InChIKey of 2-ethoxy-1-(2-methyl-4-propylpiperazin-1-yl)prop-2-en-1-one?
The InChIKey is NYXBRCSUBDLRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-5-7-14-8-9-15(11(3)10-14)13(16)12(4)17-6-2/h11H,4-10H2,1-3H3.
What are the key properties of 2-ethoxy-1-(2-methyl-4-propylpiperazin-1-yl)prop-2-en-1-one?
2-ethoxy-1-(2-methyl-4-propylpiperazin-1-yl)prop-2-en-1-one has a molecular weight of 240.35 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(2-methyl-4-propylpiperazin-1-yl)prop-2-en-1-one is sourced from PubChem (CID 21419116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).