2-[4-(6-acetamidohexanoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide

C22H34N4O3 — CID 39439879

IUPAC2-[4-(6-acetamidohexanoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)CCCCCNC(C)=O)CC1
InChIInChI=1S/C22H34N4O3/c1-3-19-9-6-7-10-20(19)24-21(28)17-25-13-15-26(16-14-25)22(29)11-5-4-8-12-23-18(2)27/h6-7,9-10H,3-5,8,11-17H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyZHVPWOQKMHEYAC-UHFFFAOYSA-N
MW402.54 g/mol
LogP2.03
Rot. Bonds10

About 2-[4-(6-acetamidohexanoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide

2-[4-(6-acetamidohexanoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide (PubChem CID 39439879) has the molecular formula C22H34N4O3 and a molecular weight of 402.54 g/mol. Its IUPAC name is 2-[4-(6-acetamidohexanoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(6-acetamidohexanoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
PubChem CID39439879
Molecular FormulaC22H34N4O3
Molecular Weight402.54 g/mol
Exact Mass402.26
IUPAC Name2-[4-(6-acetamidohexanoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)CCCCCNC(C)=O)CC1
InChIInChI=1S/C22H34N4O3/c1-3-19-9-6-7-10-20(19)24-21(28)17-25-13-15-26(16-14-25)22(29)11-5-4-8-12-23-18(2)27/h6-7,9-10H,3-5,8,11-17H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyZHVPWOQKMHEYAC-UHFFFAOYSA-N
XLogP2.03
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylphenyl)-2-(4-hexanoylpiperazin-1-yl)acetamide
CID 60522003
2-[4-[4-(2,5-dimethylphenyl)-4-oxobutanoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 27852327
N-(2-ethylphenyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide;hydrochloride
CID 120703347
4-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)-4-oxobutanamide
CID 7603287
N-(2-ethylphenyl)-2-[4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-1-yl]acetamide;dihydrochloride
CID 120982304
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-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]acetyl]piperazin-1-yl]acetamide
CID 55445521
N-(2-ethylphenyl)-2-[4-(3-pyridin-3-ylpropanoyl)piperazin-1-yl]acetamide
CID 27852073
N-(2-ethylphenyl)-2-[4-[3-[(4-fluorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]acetamide
CID 24547654
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-acetamidohexanoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[4-(6-acetamidohexanoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide (CID 39439879) is 2-[4-(6-acetamidohexanoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[4-(6-acetamidohexanoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[4-(6-acetamidohexanoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CN1CCN(C(=O)CCCCCNC(C)=O)CC1.
What is the InChIKey of 2-[4-(6-acetamidohexanoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide?
The InChIKey is ZHVPWOQKMHEYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O3/c1-3-19-9-6-7-10-20(19)24-21(28)17-25-13-15-26(16-14-25)22(29)11-5-4-8-12-23-18(2)27/h6-7,9-10H,3-5,8,11-17H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of 2-[4-(6-acetamidohexanoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide?
2-[4-(6-acetamidohexanoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide has a molecular weight of 402.54 g/mol, XLogP of 2.03, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-acetamidohexanoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 39439879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).