1-[4-(4-ethoxybenzoyl)piperazin-1-yl]prop-2-en-1-one

C16H20N2O3 — CID 172888753

IUPAC1-[4-(4-ethoxybenzoyl)piperazin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCN(C(=O)c2ccc(OCC)cc2)CC1
InChIInChI=1S/C16H20N2O3/c1-3-15(19)17-9-11-18(12-10-17)16(20)13-5-7-14(8-6-13)21-4-2/h3,5-8H,1,4,9-12H2,2H3
InChIKeyLDSXQIUAGRWUOG-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.56
Rot. Bonds4

About 1-[4-(4-ethoxybenzoyl)piperazin-1-yl]prop-2-en-1-one

1-[4-(4-ethoxybenzoyl)piperazin-1-yl]prop-2-en-1-one (PubChem CID 172888753) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[4-(4-ethoxybenzoyl)piperazin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[4-(4-ethoxybenzoyl)piperazin-1-yl]prop-2-en-1-one
PubChem CID172888753
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-[4-(4-ethoxybenzoyl)piperazin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCN(C(=O)c2ccc(OCC)cc2)CC1
InChIInChI=1S/C16H20N2O3/c1-3-15(19)17-9-11-18(12-10-17)16(20)13-5-7-14(8-6-13)21-4-2/h3,5-8H,1,4,9-12H2,2H3
InChIKeyLDSXQIUAGRWUOG-UHFFFAOYSA-N
XLogP1.56
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[4-(4-ethoxybenzoyl)piperazin-1-yl]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

aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
[4-(2-bromoethyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone
CID 80661218
(4-methylpiperazin-1-yl)-(4-prop-2-enoxyphenyl)methanone
CID 2995586
4-(4-ethoxybenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812417
(4-ethoxyphenyl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 9496560
(4-ethoxyphenyl)-[4-(1-methylpyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110816656
(4-ethoxyphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 110804828
(4-ethoxyphenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 71571371
[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-(4-ethoxyphenyl)methanone
CID 108543772
1,4-diazepan-1-yl-(4-ethoxyphenyl)methanone;hydrochloride
CID 119417655
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone
CID 55748983
1-[4-(4-ethoxybenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone
CID 108535113

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethoxybenzoyl)piperazin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[4-(4-ethoxybenzoyl)piperazin-1-yl]prop-2-en-1-one (CID 172888753) is 1-[4-(4-ethoxybenzoyl)piperazin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[4-(4-ethoxybenzoyl)piperazin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[4-(4-ethoxybenzoyl)piperazin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCN(C(=O)c2ccc(OCC)cc2)CC1.
What is the InChIKey of 1-[4-(4-ethoxybenzoyl)piperazin-1-yl]prop-2-en-1-one?
The InChIKey is LDSXQIUAGRWUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-3-15(19)17-9-11-18(12-10-17)16(20)13-5-7-14(8-6-13)21-4-2/h3,5-8H,1,4,9-12H2,2H3.
What are the key properties of 1-[4-(4-ethoxybenzoyl)piperazin-1-yl]prop-2-en-1-one?
1-[4-(4-ethoxybenzoyl)piperazin-1-yl]prop-2-en-1-one has a molecular weight of 288.35 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethoxybenzoyl)piperazin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 172888753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).