N-(2,3-dimethylphenyl)-2-(4-propanoylpiperazin-1-yl)acetamide

C17H25N3O2 — CID 27859826

IUPACN-(2,3-dimethylphenyl)-2-(4-propanoylpiperazin-1-yl)acetamide
SMILESCCC(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1
InChIInChI=1S/C17H25N3O2/c1-4-17(22)20-10-8-19(9-11-20)12-16(21)18-15-7-5-6-13(2)14(15)3/h5-7H,4,8-12H2,1-3H3,(H,18,21)
InChIKeyGFWUFFUSPGDJBP-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.80
Rot. Bonds4

About N-(2,3-dimethylphenyl)-2-(4-propanoylpiperazin-1-yl)acetamide

N-(2,3-dimethylphenyl)-2-(4-propanoylpiperazin-1-yl)acetamide (PubChem CID 27859826) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-(4-propanoylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-(4-propanoylpiperazin-1-yl)acetamide
PubChem CID27859826
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-(2,3-dimethylphenyl)-2-(4-propanoylpiperazin-1-yl)acetamide
SMILESCCC(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1
InChIInChI=1S/C17H25N3O2/c1-4-17(22)20-10-8-19(9-11-20)12-16(21)18-15-7-5-6-13(2)14(15)3/h5-7H,4,8-12H2,1-3H3,(H,18,21)
InChIKeyGFWUFFUSPGDJBP-UHFFFAOYSA-N
XLogP1.80
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-2-(4-pentanoylpiperazin-1-yl)acetamide
CID 27859808
N-(2,3-dimethylphenyl)-2-[4-(2-ethylbutanoyl)piperazin-1-yl]acetamide
CID 34983496
4-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide
CID 37191936
N-(2,3-dimethylphenyl)-2-[4-[4-(methylamino)butanoyl]piperazin-1-yl]acetamide;dihydrochloride
CID 119833595
2-[4-(7-aminoheptanoyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 119833586
N-(2,3-dimethylphenyl)-2-[4-(methylcarbamothioyl)piperazin-1-yl]acetamide
CID 9215169
2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide;dihydrochloride
CID 119833583
N-(2,3-dimethylphenyl)-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide
CID 27859906
ethyl 4-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]piperazine-1-carboxylate
CID 8931960
N-(2,3-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 755358
2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 9435279
N-(2,3-dimethylphenyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
CID 17407836

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-(4-propanoylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-(4-propanoylpiperazin-1-yl)acetamide (CID 27859826) is N-(2,3-dimethylphenyl)-2-(4-propanoylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-(4-propanoylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-(4-propanoylpiperazin-1-yl)acetamide is CCC(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-(4-propanoylpiperazin-1-yl)acetamide?
The InChIKey is GFWUFFUSPGDJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-4-17(22)20-10-8-19(9-11-20)12-16(21)18-15-7-5-6-13(2)14(15)3/h5-7H,4,8-12H2,1-3H3,(H,18,21).
What are the key properties of N-(2,3-dimethylphenyl)-2-(4-propanoylpiperazin-1-yl)acetamide?
N-(2,3-dimethylphenyl)-2-(4-propanoylpiperazin-1-yl)acetamide has a molecular weight of 303.41 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-(4-propanoylpiperazin-1-yl)acetamide is sourced from PubChem (CID 27859826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).