1-(4-ethylpiperazin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one

C16H22N2O2 — CID 3440273

IUPAC1-(4-ethylpiperazin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
SMILESCCN1CCN(C(=O)C=Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C16H22N2O2/c1-3-17-10-12-18(13-11-17)16(19)9-6-14-4-7-15(20-2)8-5-14/h4-9H,3,10-13H2,1-2H3
InChIKeyOQOFSEYJTKEWTE-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.87
Rot. Bonds4

About 1-(4-ethylpiperazin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one

1-(4-ethylpiperazin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one (PubChem CID 3440273) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
PubChem CID3440273
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(4-ethylpiperazin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
SMILESCCN1CCN(C(=O)C=Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C16H22N2O2/c1-3-17-10-12-18(13-11-17)16(19)9-6-14-4-7-15(20-2)8-5-14/h4-9H,3,10-13H2,1-2H3
InChIKeyOQOFSEYJTKEWTE-UHFFFAOYSA-N
XLogP1.87
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetic acid;hydrochloride
CID 20840061
(E)-3-(4-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
CID 773630
methyl 4-[3-(4-ethylpiperazin-1-yl)-3-oxoprop-1-enyl]benzoate
CID 102603155
(Z)-3-(4-methoxyphenyl)-N-[2-[4-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide
CID 92903724
3-(4-methoxyphenyl)-N-[2-[4-[3-(4-methoxyphenyl)prop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide
CID 1008919
tert-butyl 4-[3-(4-methoxyphenyl)prop-2-enoyl]piperazine-1-carboxylate
CID 85437217
(E)-3-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)prop-2-en-1-one
CID 881729
(E)-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one
CID 31730051
(E)-1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 60958280
1-(4-ethylpiperazin-1-yl)-3-(4-nitrophenyl)prop-2-en-1-one
CID 898287
(2E,4E)-5-(4-methoxyphenyl)-1-(4-propanoylpiperazin-1-yl)penta-2,4-dien-1-one
CID 139551801
(E)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 6007464

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one (CID 3440273) is 1-(4-ethylpiperazin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one is CCN1CCN(C(=O)C=Cc2ccc(OC)cc2)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one?
The InChIKey is OQOFSEYJTKEWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-17-10-12-18(13-11-17)16(19)9-6-14-4-7-15(20-2)8-5-14/h4-9H,3,10-13H2,1-2H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one?
1-(4-ethylpiperazin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one has a molecular weight of 274.36 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 3440273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).