3-[4-(2-methoxyphenyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-prop-2-enylpropanamide

C19H27N3O3 — CID 108957628

IUPAC3-[4-(2-methoxyphenyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)(C)C(=O)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C19H27N3O3/c1-5-10-20-17(23)19(2,3)18(24)22-13-11-21(12-14-22)15-8-6-7-9-16(15)25-4/h5-9H,1,10-14H2,2-4H3,(H,20,23)
InChIKeyMLIAFLONIQLDQJ-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.67
Rot. Bonds6

About 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-prop-2-enylpropanamide

3-[4-(2-methoxyphenyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-prop-2-enylpropanamide (PubChem CID 108957628) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-[4-(2-methoxyphenyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-prop-2-enylpropanamide
PubChem CID108957628
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name3-[4-(2-methoxyphenyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)(C)C(=O)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C19H27N3O3/c1-5-10-20-17(23)19(2,3)18(24)22-13-11-21(12-14-22)15-8-6-7-9-16(15)25-4/h5-9H,1,10-14H2,2-4H3,(H,20,23)
InChIKeyMLIAFLONIQLDQJ-UHFFFAOYSA-N
XLogP1.67
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-prop-2-enylpropanamide 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

4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-prop-2-enylbenzamide
CID 109043513
2,2-dimethyl-3-oxo-N-prop-2-enyl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108957634
N-[(E)-3,3-dimethylbut-1-enyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 108911493
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2,2-dimethyl-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108959153
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941985
4-(2-methoxyphenyl)-N-prop-1-en-2-ylpiperazine-1-carboxamide
CID 108910374
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 4122027
N-[2-[[ethylamino-[4-(2-methoxyphenyl)piperazin-1-yl]methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 111133630
2,2,3,3,4,4,5,5,5-nonafluoro-1-[4-(2-methoxyphenyl)piperazin-1-yl]pentan-1-one
CID 5075604
ethyl 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate
CID 108530741
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
2-anilino-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119826557

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-prop-2-enylpropanamide?
The IUPAC name of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-prop-2-enylpropanamide (CID 108957628) is 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-prop-2-enylpropanamide?
The canonical SMILES for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)(C)C(=O)N1CCN(c2ccccc2OC)CC1.
What is the InChIKey of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-prop-2-enylpropanamide?
The InChIKey is MLIAFLONIQLDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-5-10-20-17(23)19(2,3)18(24)22-13-11-21(12-14-22)15-8-6-7-9-16(15)25-4/h5-9H,1,10-14H2,2-4H3,(H,20,23).
What are the key properties of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-prop-2-enylpropanamide?
3-[4-(2-methoxyphenyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-prop-2-enylpropanamide has a molecular weight of 345.44 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-prop-2-enylpropanamide is sourced from PubChem (CID 108957628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).