N-[3-oxo-1-(2-oxopiperidin-1-yl)-2H-isoindol-1-yl]acetamide

C15H17N3O3 — CID 166506242

IUPACN-[3-oxo-1-(2-oxopiperidin-1-yl)-2H-isoindol-1-yl]acetamide
SMILESCC(=O)NC1(N2CCCCC2=O)NC(=O)c2ccccc21
InChIInChI=1S/C15H17N3O3/c1-10(19)16-15(18-9-5-4-8-13(18)20)12-7-3-2-6-11(12)14(21)17-15/h2-3,6-7H,4-5,8-9H2,1H3,(H,16,19)(H,17,21)
InChIKeyHQHOPSRSGWZUQE-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.69
Rot. Bonds2

About N-[3-oxo-1-(2-oxopiperidin-1-yl)-2H-isoindol-1-yl]acetamide

N-[3-oxo-1-(2-oxopiperidin-1-yl)-2H-isoindol-1-yl]acetamide (PubChem CID 166506242) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[3-oxo-1-(2-oxopiperidin-1-yl)-2H-isoindol-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-oxo-1-(2-oxopiperidin-1-yl)-2H-isoindol-1-yl]acetamide
PubChem CID166506242
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-[3-oxo-1-(2-oxopiperidin-1-yl)-2H-isoindol-1-yl]acetamide
SMILESCC(=O)NC1(N2CCCCC2=O)NC(=O)c2ccccc21
InChIInChI=1S/C15H17N3O3/c1-10(19)16-15(18-9-5-4-8-13(18)20)12-7-3-2-6-11(12)14(21)17-15/h2-3,6-7H,4-5,8-9H2,1H3,(H,16,19)(H,17,21)
InChIKeyHQHOPSRSGWZUQE-UHFFFAOYSA-N
XLogP0.69
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-3-oxo-1-phenyl-2H-isoindol-1-yl]acetamide
CID 95561425
dimethyl 3-oxo-2H-isoindole-1,1-dicarboxylate
CID 125471809
N-[1-(2-chlorophenyl)-2-oxocyclohexyl]acetamide
CID 91753398
N,N-dimethyl-3-oxospiro[2H-isoindole-1,4'-piperidine]-1'-carboxamide
CID 97449355
(3R)-3-hydroxy-3-propan-2-yl-2H-isoindol-1-one
CID 124705216
1-acetyl-3,4,5,6-tetrahydro-1-benzazonine-2,7-dione
CID 15650143
spiro[2H-isoindole-3,3'-pyrrolidine]-1,2'-dione
CID 170518385
38-hydroxy-36-thia-1,13,25-triazatricyclo[36.7.0.039,44]pentatetraconta-39,41,43-triene-12,24,45-trione
CID 10462385
11b-hydroxy-1,3,4,5-tetrahydro-[1,4]selenazepino[3,4-a]isoindol-7-one
CID 156612535
3-tert-butyl-3-deuteriooxy-2H-isoindol-1-one
CID 58979741
4-methyl-4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroisoquinolin-1-one
CID 22767294
1'-(1-oxo-1-piperidin-1-ylpropan-2-yl)spiro[1,3-dihydroquinazoline-2,5'-azepane]-2',4-dione
CID 110212312

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-1-(2-oxopiperidin-1-yl)-2H-isoindol-1-yl]acetamide?
The IUPAC name of N-[3-oxo-1-(2-oxopiperidin-1-yl)-2H-isoindol-1-yl]acetamide (CID 166506242) is N-[3-oxo-1-(2-oxopiperidin-1-yl)-2H-isoindol-1-yl]acetamide.
What is the SMILES notation for N-[3-oxo-1-(2-oxopiperidin-1-yl)-2H-isoindol-1-yl]acetamide?
The canonical SMILES for N-[3-oxo-1-(2-oxopiperidin-1-yl)-2H-isoindol-1-yl]acetamide is CC(=O)NC1(N2CCCCC2=O)NC(=O)c2ccccc21.
What is the InChIKey of N-[3-oxo-1-(2-oxopiperidin-1-yl)-2H-isoindol-1-yl]acetamide?
The InChIKey is HQHOPSRSGWZUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10(19)16-15(18-9-5-4-8-13(18)20)12-7-3-2-6-11(12)14(21)17-15/h2-3,6-7H,4-5,8-9H2,1H3,(H,16,19)(H,17,21).
What are the key properties of N-[3-oxo-1-(2-oxopiperidin-1-yl)-2H-isoindol-1-yl]acetamide?
N-[3-oxo-1-(2-oxopiperidin-1-yl)-2H-isoindol-1-yl]acetamide has a molecular weight of 287.32 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-1-(2-oxopiperidin-1-yl)-2H-isoindol-1-yl]acetamide is sourced from PubChem (CID 166506242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).