2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-N-prop-2-enylacetamide

C16H21N3O3 — CID 18588549

IUPAC2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-N-prop-2-enylacetamide
SMILESC=CCNC(=O)C(=O)N1CCN(c2ccc(OC)cc2)CC1
InChIInChI=1S/C16H21N3O3/c1-3-8-17-15(20)16(21)19-11-9-18(10-12-19)13-4-6-14(22-2)7-5-13/h3-7H,1,8-12H2,2H3,(H,17,20)
InChIKeyOXIZJOYGILSJLA-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.65
Rot. Bonds4

About 2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-N-prop-2-enylacetamide

2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-N-prop-2-enylacetamide (PubChem CID 18588549) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-N-prop-2-enylacetamide
PubChem CID18588549
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-N-prop-2-enylacetamide
SMILESC=CCNC(=O)C(=O)N1CCN(c2ccc(OC)cc2)CC1
InChIInChI=1S/C16H21N3O3/c1-3-8-17-15(20)16(21)19-11-9-18(10-12-19)13-4-6-14(22-2)7-5-13/h3-7H,1,8-12H2,2H3,(H,17,20)
InChIKeyOXIZJOYGILSJLA-UHFFFAOYSA-N
XLogP0.65
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-prop-2-enylcyclopropane-1-carboxamide
CID 108970865
N-(4-ethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 44902445
N'-(4-methoxyphenyl)-N-prop-2-enyloxamide
CID 3102348
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide
CID 9158819
N,N-diethyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 2197299
2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 43996606
N-(3-acetamidophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 44902805
N-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 44892200
N-[2-(4-methoxyphenoxy)ethyl]-N'-prop-2-enyloxamide
CID 108526449
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 24702790
2-methoxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 60637810
4-[2-(4-methoxyphenyl)ethyl]-N-prop-2-enylpiperazine-1-carboxamide
CID 51096013

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-N-prop-2-enylacetamide?
The IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-N-prop-2-enylacetamide (CID 18588549) is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-N-prop-2-enylacetamide?
The canonical SMILES for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-N-prop-2-enylacetamide is C=CCNC(=O)C(=O)N1CCN(c2ccc(OC)cc2)CC1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-N-prop-2-enylacetamide?
The InChIKey is OXIZJOYGILSJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-3-8-17-15(20)16(21)19-11-9-18(10-12-19)13-4-6-14(22-2)7-5-13/h3-7H,1,8-12H2,2H3,(H,17,20).
What are the key properties of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-N-prop-2-enylacetamide?
2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-N-prop-2-enylacetamide has a molecular weight of 303.36 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-N-prop-2-enylacetamide is sourced from PubChem (CID 18588549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).