2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(3-methylpiperidin-4-yl)acetamide

C17H21N3O3 — CID 120553949

IUPAC2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(3-methylpiperidin-4-yl)acetamide
SMILESCc1ccc2c(c1)C(=O)N(CC(=O)NC1CCNCC1C)C2=O
InChIInChI=1S/C17H21N3O3/c1-10-3-4-12-13(7-10)17(23)20(16(12)22)9-15(21)19-14-5-6-18-8-11(14)2/h3-4,7,11,14,18H,5-6,8-9H2,1-2H3,(H,19,21)
InChIKeyAIAZDXFHNSRVIT-UHFFFAOYSA-N
MW315.37 g/mol
LogP0.71
Rot. Bonds3

About 2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(3-methylpiperidin-4-yl)acetamide

2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(3-methylpiperidin-4-yl)acetamide (PubChem CID 120553949) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(3-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(3-methylpiperidin-4-yl)acetamide
PubChem CID120553949
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(3-methylpiperidin-4-yl)acetamide
SMILESCc1ccc2c(c1)C(=O)N(CC(=O)NC1CCNCC1C)C2=O
InChIInChI=1S/C17H21N3O3/c1-10-3-4-12-13(7-10)17(23)20(16(12)22)9-15(21)19-14-5-6-18-8-11(14)2/h3-4,7,11,14,18H,5-6,8-9H2,1-2H3,(H,19,21)
InChIKeyAIAZDXFHNSRVIT-UHFFFAOYSA-N
XLogP0.71
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(3-methylpiperidin-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120553932
4-(2,5-dimethylphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide
CID 120553639
2-(1,3-dioxoisoindol-2-yl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7777606
2-(2,4-dimethylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120555880
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methylpiperidin-4-yl)acetamide
CID 120557707
2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119446180
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120556722
N-[(1R,2S)-2-methylcyclohexyl]-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 2693447
2-(3-methylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120556862
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557136
2-[2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-5-methylisoindole-1,3-dione
CID 120656152
2-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-3-oxo-1H-pyrazole-5-carboxamide
CID 120554828

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(3-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(3-methylpiperidin-4-yl)acetamide (CID 120553949) is 2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(3-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(3-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(3-methylpiperidin-4-yl)acetamide is Cc1ccc2c(c1)C(=O)N(CC(=O)NC1CCNCC1C)C2=O.
What is the InChIKey of 2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(3-methylpiperidin-4-yl)acetamide?
The InChIKey is AIAZDXFHNSRVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-10-3-4-12-13(7-10)17(23)20(16(12)22)9-15(21)19-14-5-6-18-8-11(14)2/h3-4,7,11,14,18H,5-6,8-9H2,1-2H3,(H,19,21).
What are the key properties of 2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(3-methylpiperidin-4-yl)acetamide?
2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(3-methylpiperidin-4-yl)acetamide has a molecular weight of 315.37 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(3-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 120553949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).