3-(1-methyl-3-oxo-6-propan-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione

C17H20N2O3 — CID 163222672

IUPAC3-(1-methyl-3-oxo-6-propan-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESCC(C)c1ccc2c(c1)C(C)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C17H20N2O3/c1-9(2)11-4-5-12-13(8-11)10(3)19(17(12)22)14-6-7-15(20)18-16(14)21/h4-5,8-10,14H,6-7H2,1-3H3,(H,18,20,21)
InChIKeyNFXGEADQULOHAE-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.13
Rot. Bonds2

About 3-(1-methyl-3-oxo-6-propan-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione

3-(1-methyl-3-oxo-6-propan-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione (PubChem CID 163222672) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-(1-methyl-3-oxo-6-propan-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(1-methyl-3-oxo-6-propan-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione
PubChem CID163222672
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name3-(1-methyl-3-oxo-6-propan-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESCC(C)c1ccc2c(c1)C(C)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C17H20N2O3/c1-9(2)11-4-5-12-13(8-11)10(3)19(17(12)22)14-6-7-15(20)18-16(14)21/h4-5,8-10,14H,6-7H2,1-3H3,(H,18,20,21)
InChIKeyNFXGEADQULOHAE-UHFFFAOYSA-N
XLogP2.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(1-methyl-3-oxo-6-propan-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione with MolForge

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Related Compounds

3-(5-methoxy-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 139483267
3-(3'-oxo-6'-propan-2-ylspiro[cyclopropane-1,1'-isoindole]-2'-yl)piperidine-2,6-dione
CID 170081902
3-[1-methyl-3-oxo-6-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155673280
3-[6-(4-fluoro-1,5-dimethyl-1,3-dihydroisoindole-2-carbonyl)-1-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 178033027
3-(4-iodo-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 156528333
3-[(1R)-6-(6-amino-5-isocyano-4-methyl-2-pyridinyl)-1-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 165386856
3-[(1S)-1-(4-chlorophenyl)ethyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
CID 164736225
3-(7-fluoro-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 176695414
3-(3-methyl-2-oxo-5-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione
CID 138727887
benzyl 4-[2-(2,6-dioxopiperidin-3-yl)-3-methyl-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate
CID 155769118
3-[5-propan-2-yl-2-(trifluoromethyl)phenyl]piperidine-2,6-dione
CID 170052287
3-[2-[4-(dimethoxymethyl)piperidin-1-yl]-7-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]piperidine-2,6-dione
CID 176694942

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-3-oxo-6-propan-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(1-methyl-3-oxo-6-propan-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione (CID 163222672) is 3-(1-methyl-3-oxo-6-propan-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(1-methyl-3-oxo-6-propan-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(1-methyl-3-oxo-6-propan-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione is CC(C)c1ccc2c(c1)C(C)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 3-(1-methyl-3-oxo-6-propan-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione?
The InChIKey is NFXGEADQULOHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-9(2)11-4-5-12-13(8-11)10(3)19(17(12)22)14-6-7-15(20)18-16(14)21/h4-5,8-10,14H,6-7H2,1-3H3,(H,18,20,21).
What are the key properties of 3-(1-methyl-3-oxo-6-propan-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione?
3-(1-methyl-3-oxo-6-propan-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione has a molecular weight of 300.36 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-3-oxo-6-propan-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 163222672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).