2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-phenyl-N-prop-2-enylacetamide

C23H29N3O — CID 55409638

IUPAC2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-phenyl-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)CN1CCN(c2cccc(C)c2C)CC1)c1ccccc1
InChIInChI=1S/C23H29N3O/c1-4-13-26(21-10-6-5-7-11-21)23(27)18-24-14-16-25(17-15-24)22-12-8-9-19(2)20(22)3/h4-12H,1,13-18H2,2-3H3
InChIKeyJAEUDROEYSFGCK-UHFFFAOYSA-N
MW363.51 g/mol
LogP3.64
Rot. Bonds6

About 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-phenyl-N-prop-2-enylacetamide

2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-phenyl-N-prop-2-enylacetamide (PubChem CID 55409638) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-phenyl-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-phenyl-N-prop-2-enylacetamide
PubChem CID55409638
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-phenyl-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)CN1CCN(c2cccc(C)c2C)CC1)c1ccccc1
InChIInChI=1S/C23H29N3O/c1-4-13-26(21-10-6-5-7-11-21)23(27)18-24-14-16-25(17-15-24)22-12-8-9-19(2)20(22)3/h4-12H,1,13-18H2,2-3H3
InChIKeyJAEUDROEYSFGCK-UHFFFAOYSA-N
XLogP3.64
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 53.64
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

N-(2,3-dimethylphenyl)-2-[4-[2-oxo-2-(N-prop-2-enylanilino)ethyl]piperazin-1-yl]acetamide
CID 8694626
N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-ethylacetamide
CID 108998972
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-N-phenylpropanamide
CID 109029653
1-(2,3-dimethylphenyl)-4-[(4-phenylphenyl)methyl]piperazine;oxalic acid
CID 163327680
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-ethyl-3-oxo-N-phenylpropanamide
CID 108950576
N-(2-chlorophenyl)-2-[4-[2-oxo-2-(N-prop-2-enylanilino)ethyl]piperazin-1-yl]acetamide
CID 8800095
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-phenyl-N-prop-2-enylacetamide
CID 26628495
N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
CID 6469246
4-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]piperazine-1-carbaldehyde
CID 108995753
4-(2,3-dimethylphenyl)-N,N-diphenylpiperazine-1-carboxamide
CID 1305709
2-amino-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butanoic acid
CID 63028507
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9347111

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-phenyl-N-prop-2-enylacetamide?
The IUPAC name of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-phenyl-N-prop-2-enylacetamide (CID 55409638) is 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-phenyl-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-phenyl-N-prop-2-enylacetamide?
The canonical SMILES for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-phenyl-N-prop-2-enylacetamide is C=CCN(C(=O)CN1CCN(c2cccc(C)c2C)CC1)c1ccccc1.
What is the InChIKey of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-phenyl-N-prop-2-enylacetamide?
The InChIKey is JAEUDROEYSFGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-4-13-26(21-10-6-5-7-11-21)23(27)18-24-14-16-25(17-15-24)22-12-8-9-19(2)20(22)3/h4-12H,1,13-18H2,2-3H3.
What are the key properties of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-phenyl-N-prop-2-enylacetamide?
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-phenyl-N-prop-2-enylacetamide has a molecular weight of 363.51 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-phenyl-N-prop-2-enylacetamide is sourced from PubChem (CID 55409638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).