2-(4-ethoxyphenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone

C17H24N2O2 — CID 6465047

IUPAC2-(4-ethoxyphenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone
SMILESC=CCN1CCN(C(=O)Cc2ccc(OCC)cc2)CC1
InChIInChI=1S/C17H24N2O2/c1-3-9-18-10-12-19(13-11-18)17(20)14-15-5-7-16(8-6-15)21-4-2/h3,5-8H,1,4,9-14H2,2H3
InChIKeyPOJBRKPTWNKEFX-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.96
Rot. Bonds6

About 2-(4-ethoxyphenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone

2-(4-ethoxyphenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone (PubChem CID 6465047) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone
PubChem CID6465047
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-(4-ethoxyphenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone
SMILESC=CCN1CCN(C(=O)Cc2ccc(OCC)cc2)CC1
InChIInChI=1S/C17H24N2O2/c1-3-9-18-10-12-19(13-11-18)17(20)14-15-5-7-16(8-6-15)21-4-2/h3,5-8H,1,4,9-14H2,2H3
InChIKeyPOJBRKPTWNKEFX-UHFFFAOYSA-N
XLogP1.96
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 55461138
ethyl 4-[2-(4-ethoxyphenyl)acetyl]piperazine-1-carboxylate
CID 78784884
2-(4-ethoxyphenyl)-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]ethanone
CID 95348538
1-(4-aminopiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone
CID 82365897
2-(4-ethoxyphenyl)-1-[4-[2-(4-ethylphenyl)-2-oxoethyl]piperazin-1-yl]ethanone
CID 110366779
ethyl 4-[2-(4-ethoxyphenyl)acetyl]-1,4-diazepane-1-carboxylate
CID 110808925
1-[4-[2-(4-ethoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 108547166
1-[4-[2-(4-ethoxyphenyl)acetyl]-1,4-diazepan-1-yl]-2-phenylethanone
CID 108545578
1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-ethoxyphenyl)ethanone
CID 110743455
1-[4-[2-(4-ethoxyphenyl)acetyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55471046
2-(4-ethoxyphenyl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
CID 17249513
2-phenyl-1-(4-prop-2-enyl-1,4-diazepan-1-yl)ethanone
CID 95750020

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4-ethoxyphenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone (CID 6465047) is 2-(4-ethoxyphenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4-ethoxyphenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4-ethoxyphenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone is C=CCN1CCN(C(=O)Cc2ccc(OCC)cc2)CC1.
What is the InChIKey of 2-(4-ethoxyphenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone?
The InChIKey is POJBRKPTWNKEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-9-18-10-12-19(13-11-18)17(20)14-15-5-7-16(8-6-15)21-4-2/h3,5-8H,1,4,9-14H2,2H3.
What are the key properties of 2-(4-ethoxyphenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone?
2-(4-ethoxyphenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone has a molecular weight of 288.39 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone is sourced from PubChem (CID 6465047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).