2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(2-piperazin-1-ylethyl)acetamide

C17H22N4O3 — CID 119446180

IUPAC2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(2-piperazin-1-ylethyl)acetamide
SMILESCc1ccc2c(c1)C(=O)N(CC(=O)NCCN1CCNCC1)C2=O
InChIInChI=1S/C17H22N4O3/c1-12-2-3-13-14(10-12)17(24)21(16(13)23)11-15(22)19-6-9-20-7-4-18-5-8-20/h2-3,10,18H,4-9,11H2,1H3,(H,19,22)
InChIKeyAVKIRUVRWCGLLD-UHFFFAOYSA-N
MW330.39 g/mol
LogP-0.39
Rot. Bonds5

About 2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(2-piperazin-1-ylethyl)acetamide

2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(2-piperazin-1-ylethyl)acetamide (PubChem CID 119446180) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(2-piperazin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(2-piperazin-1-ylethyl)acetamide
PubChem CID119446180
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(2-piperazin-1-ylethyl)acetamide
SMILESCc1ccc2c(c1)C(=O)N(CC(=O)NCCN1CCNCC1)C2=O
InChIInChI=1S/C17H22N4O3/c1-12-2-3-13-14(10-12)17(24)21(16(13)23)11-15(22)19-6-9-20-7-4-18-5-8-20/h2-3,10,18H,4-9,11H2,1H3,(H,19,22)
InChIKeyAVKIRUVRWCGLLD-UHFFFAOYSA-N
XLogP-0.39
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dimethylphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 62537843
2-(4-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119260061
2-[4-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]piperazin-1-yl]-N-propylacetamide
CID 55376897
2-(2,5-dimethylphenyl)sulfanyl-N-(2-piperazin-1-ylethyl)acetamide
CID 119448232
5-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]pentanoic acid
CID 119234321
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(2-piperazin-1-ylethyl)urea
CID 108874901
1-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-3-(2-piperazin-1-ylethyl)urea
CID 108872533
3,3-dimethyl-N-[2-(5-methyl-1,3-dioxoisoindol-2-yl)ethyl]butanamide
CID 170299020
2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 39710283
2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(2-phenylsulfanylethyl)acetamide
CID 26444764
N'-[(4-methylphenyl)methyl]-N-(2-piperazin-1-ylethyl)oxamide
CID 108517726
2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 4629546

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(2-piperazin-1-ylethyl)acetamide?
The IUPAC name of 2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(2-piperazin-1-ylethyl)acetamide (CID 119446180) is 2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(2-piperazin-1-ylethyl)acetamide.
What is the SMILES notation for 2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(2-piperazin-1-ylethyl)acetamide?
The canonical SMILES for 2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(2-piperazin-1-ylethyl)acetamide is Cc1ccc2c(c1)C(=O)N(CC(=O)NCCN1CCNCC1)C2=O.
What is the InChIKey of 2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(2-piperazin-1-ylethyl)acetamide?
The InChIKey is AVKIRUVRWCGLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-12-2-3-13-14(10-12)17(24)21(16(13)23)11-15(22)19-6-9-20-7-4-18-5-8-20/h2-3,10,18H,4-9,11H2,1H3,(H,19,22).
What are the key properties of 2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(2-piperazin-1-ylethyl)acetamide?
2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(2-piperazin-1-ylethyl)acetamide has a molecular weight of 330.39 g/mol, XLogP of -0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(2-piperazin-1-ylethyl)acetamide is sourced from PubChem (CID 119446180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).