N-(2-ethylphenyl)-2-(4-hexanoylpiperazin-1-yl)acetamide

C20H31N3O2 — CID 60522003

IUPACN-(2-ethylphenyl)-2-(4-hexanoylpiperazin-1-yl)acetamide
SMILESCCCCCC(=O)N1CCN(CC(=O)Nc2ccccc2CC)CC1
InChIInChI=1S/C20H31N3O2/c1-3-5-6-11-20(25)23-14-12-22(13-15-23)16-19(24)21-18-10-8-7-9-17(18)4-2/h7-10H,3-6,11-16H2,1-2H3,(H,21,24)
InChIKeyOWJPCXMFZRTRNE-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.91
Rot. Bonds8

About N-(2-ethylphenyl)-2-(4-hexanoylpiperazin-1-yl)acetamide

N-(2-ethylphenyl)-2-(4-hexanoylpiperazin-1-yl)acetamide (PubChem CID 60522003) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-(4-hexanoylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-(4-hexanoylpiperazin-1-yl)acetamide
PubChem CID60522003
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN-(2-ethylphenyl)-2-(4-hexanoylpiperazin-1-yl)acetamide
SMILESCCCCCC(=O)N1CCN(CC(=O)Nc2ccccc2CC)CC1
InChIInChI=1S/C20H31N3O2/c1-3-5-6-11-20(25)23-14-12-22(13-15-23)16-19(24)21-18-10-8-7-9-17(18)4-2/h7-10H,3-6,11-16H2,1-2H3,(H,21,24)
InChIKeyOWJPCXMFZRTRNE-UHFFFAOYSA-N
XLogP2.91
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(6-acetamidohexanoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 39439879
N-(2-ethylphenyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide;hydrochloride
CID 120703347
N-(2-ethylphenyl)-2-[4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-1-yl]acetamide;dihydrochloride
CID 120982304
N-(2,3-dimethylphenyl)-2-(4-pentanoylpiperazin-1-yl)acetamide
CID 27859808
2-[4-(3-aminobutanoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 119833554
N-(2-ethylphenyl)-2-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]piperazin-1-yl]acetamide
CID 55789750
N-(2-ethylphenyl)-2-[4-(3-pyridin-3-ylpropanoyl)piperazin-1-yl]acetamide
CID 27852073
4-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)-4-oxobutanamide
CID 7603287
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9436502
N-(2-ethylphenyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-yl]acetamide
CID 9022351
2-[4-(2-cyclohexylacetyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 39762859
2-[4-[4-(2,5-dimethylphenyl)-4-oxobutanoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 27852327

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-(4-hexanoylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-(4-hexanoylpiperazin-1-yl)acetamide (CID 60522003) is N-(2-ethylphenyl)-2-(4-hexanoylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-(4-hexanoylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-(4-hexanoylpiperazin-1-yl)acetamide is CCCCCC(=O)N1CCN(CC(=O)Nc2ccccc2CC)CC1.
What is the InChIKey of N-(2-ethylphenyl)-2-(4-hexanoylpiperazin-1-yl)acetamide?
The InChIKey is OWJPCXMFZRTRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-3-5-6-11-20(25)23-14-12-22(13-15-23)16-19(24)21-18-10-8-7-9-17(18)4-2/h7-10H,3-6,11-16H2,1-2H3,(H,21,24).
What are the key properties of N-(2-ethylphenyl)-2-(4-hexanoylpiperazin-1-yl)acetamide?
N-(2-ethylphenyl)-2-(4-hexanoylpiperazin-1-yl)acetamide has a molecular weight of 345.49 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-(4-hexanoylpiperazin-1-yl)acetamide is sourced from PubChem (CID 60522003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).