2-[4-(4-ethylbenzoyl)piperazin-1-yl]-N,N-bis(prop-2-enyl)acetamide

C21H29N3O2 — CID 55590998

IUPAC2-[4-(4-ethylbenzoyl)piperazin-1-yl]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CN1CCN(C(=O)c2ccc(CC)cc2)CC1
InChIInChI=1S/C21H29N3O2/c1-4-11-23(12-5-2)20(25)17-22-13-15-24(16-14-22)21(26)19-9-7-18(6-3)8-10-19/h4-5,7-10H,1-2,6,11-17H2,3H3
InChIKeyZVINQEJWYMMDLV-UHFFFAOYSA-N
MW355.48 g/mol
LogP2.21
Rot. Bonds8

About 2-[4-(4-ethylbenzoyl)piperazin-1-yl]-N,N-bis(prop-2-enyl)acetamide

2-[4-(4-ethylbenzoyl)piperazin-1-yl]-N,N-bis(prop-2-enyl)acetamide (PubChem CID 55590998) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 2-[4-(4-ethylbenzoyl)piperazin-1-yl]-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-ethylbenzoyl)piperazin-1-yl]-N,N-bis(prop-2-enyl)acetamide
PubChem CID55590998
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name2-[4-(4-ethylbenzoyl)piperazin-1-yl]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CN1CCN(C(=O)c2ccc(CC)cc2)CC1
InChIInChI=1S/C21H29N3O2/c1-4-11-23(12-5-2)20(25)17-22-13-15-24(16-14-22)21(26)19-9-7-18(6-3)8-10-19/h4-5,7-10H,1-2,6,11-17H2,3H3
InChIKeyZVINQEJWYMMDLV-UHFFFAOYSA-N
XLogP2.21
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-(4-ethylbenzoyl)piperazin-1-yl]-N,N-bis(prop-2-enyl)acetamide 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

2-(4-acetylpiperazin-1-yl)-N,N-bis(prop-2-enyl)acetamide
CID 50974093
[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 32770513
2-[4-[4-(dimethylsulfamoyl)benzoyl]piperazin-1-yl]-N,N-diethylacetamide
CID 24533336
(4-ethylphenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 94063036
N-(4-chlorophenyl)-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide
CID 35125248
N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-N-prop-2-enylmethanesulfonamide
CID 2967848
2-amino-1-[4-(4-ethylbenzoyl)piperazin-1-yl]ethanone
CID 119292854
cyclopentyl-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone
CID 84546397
2-[4-(4-aminobenzoyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 60937139
2-[4-(4-cyanobenzoyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 9021763
2-(4-benzoylpiperazin-1-yl)-N-(4-ethylphenyl)acetamide
CID 9223540
(4-ethylphenyl)-[4-(pyridazine-4-carbonyl)piperazin-1-yl]methanone
CID 146084360

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethylbenzoyl)piperazin-1-yl]-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-[4-(4-ethylbenzoyl)piperazin-1-yl]-N,N-bis(prop-2-enyl)acetamide (CID 55590998) is 2-[4-(4-ethylbenzoyl)piperazin-1-yl]-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-[4-(4-ethylbenzoyl)piperazin-1-yl]-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-[4-(4-ethylbenzoyl)piperazin-1-yl]-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)CN1CCN(C(=O)c2ccc(CC)cc2)CC1.
What is the InChIKey of 2-[4-(4-ethylbenzoyl)piperazin-1-yl]-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is ZVINQEJWYMMDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-4-11-23(12-5-2)20(25)17-22-13-15-24(16-14-22)21(26)19-9-7-18(6-3)8-10-19/h4-5,7-10H,1-2,6,11-17H2,3H3.
What are the key properties of 2-[4-(4-ethylbenzoyl)piperazin-1-yl]-N,N-bis(prop-2-enyl)acetamide?
2-[4-(4-ethylbenzoyl)piperazin-1-yl]-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 355.48 g/mol, XLogP of 2.21, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylbenzoyl)piperazin-1-yl]-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 55590998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).