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

C16H22N2O2 — CID 102603388

IUPAC1-(4-ethylpiperazin-1-yl)-3-(2-methoxyphenyl)prop-2-en-1-one
SMILESCCN1CCN(C(=O)C=Cc2ccccc2OC)CC1
InChIInChI=1S/C16H22N2O2/c1-3-17-10-12-18(13-11-17)16(19)9-8-14-6-4-5-7-15(14)20-2/h4-9H,3,10-13H2,1-2H3
InChIKeyQYPVERQQQQGSIU-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.87
Rot. Bonds4

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

1-(4-ethylpiperazin-1-yl)-3-(2-methoxyphenyl)prop-2-en-1-one (PubChem CID 102603388) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-3-(2-methoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-3-(2-methoxyphenyl)prop-2-en-1-one
PubChem CID102603388
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(4-ethylpiperazin-1-yl)-3-(2-methoxyphenyl)prop-2-en-1-one
SMILESCCN1CCN(C(=O)C=Cc2ccccc2OC)CC1
InChIInChI=1S/C16H22N2O2/c1-3-17-10-12-18(13-11-17)16(19)9-8-14-6-4-5-7-15(14)20-2/h4-9H,3,10-13H2,1-2H3
InChIKeyQYPVERQQQQGSIU-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
CID 2929140
1-(azepan-1-yl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 4506724
(E)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-one
CID 26756650
(E)-3-(2-methoxyphenyl)-1-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]prop-2-en-1-one
CID 55673099
(E)-1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-one
CID 46559839
(E)-1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-one
CID 10719928
(E)-1-(4-ethylpiperazin-1-yl)-3-(2-nitrophenyl)prop-2-en-1-one
CID 889251
(E)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 134005407
1-(3-hydroxy-3-propylazetidin-1-yl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 77103977
(E)-1-[4-(1-hydroxy-1-phenylpropan-2-yl)piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-one
CID 110184552
1-(4-ethylpiperazin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 3440273
(E)-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 39737964

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-(2-methoxyphenyl)prop-2-en-1-one?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-(2-methoxyphenyl)prop-2-en-1-one (CID 102603388) is 1-(4-ethylpiperazin-1-yl)-3-(2-methoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-3-(2-methoxyphenyl)prop-2-en-1-one?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-3-(2-methoxyphenyl)prop-2-en-1-one is CCN1CCN(C(=O)C=Cc2ccccc2OC)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-3-(2-methoxyphenyl)prop-2-en-1-one?
The InChIKey is QYPVERQQQQGSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-17-10-12-18(13-11-17)16(19)9-8-14-6-4-5-7-15(14)20-2/h4-9H,3,10-13H2,1-2H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-3-(2-methoxyphenyl)prop-2-en-1-one?
1-(4-ethylpiperazin-1-yl)-3-(2-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-(2-methoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 102603388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).