2-(2-hydroxy-2-methyl-6-oxopiperidin-3-yl)-4-(propan-2-ylamino)isoindole-1,3-dione

C17H21N3O4 — CID 169213660

IUPAC2-(2-hydroxy-2-methyl-6-oxopiperidin-3-yl)-4-(propan-2-ylamino)isoindole-1,3-dione
SMILESCC(C)Nc1cccc2c1C(=O)N(C1CCC(=O)NC1(C)O)C2=O
InChIInChI=1S/C17H21N3O4/c1-9(2)18-11-6-4-5-10-14(11)16(23)20(15(10)22)12-7-8-13(21)19-17(12,3)24/h4-6,9,12,18,24H,7-8H2,1-3H3,(H,19,21)
InChIKeyPRTLWAXWFCVVQU-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.09
Rot. Bonds3

About 2-(2-hydroxy-2-methyl-6-oxopiperidin-3-yl)-4-(propan-2-ylamino)isoindole-1,3-dione

2-(2-hydroxy-2-methyl-6-oxopiperidin-3-yl)-4-(propan-2-ylamino)isoindole-1,3-dione (PubChem CID 169213660) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-(2-hydroxy-2-methyl-6-oxopiperidin-3-yl)-4-(propan-2-ylamino)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-hydroxy-2-methyl-6-oxopiperidin-3-yl)-4-(propan-2-ylamino)isoindole-1,3-dione
PubChem CID169213660
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name2-(2-hydroxy-2-methyl-6-oxopiperidin-3-yl)-4-(propan-2-ylamino)isoindole-1,3-dione
SMILESCC(C)Nc1cccc2c1C(=O)N(C1CCC(=O)NC1(C)O)C2=O
InChIInChI=1S/C17H21N3O4/c1-9(2)18-11-6-4-5-10-14(11)16(23)20(15(10)22)12-7-8-13(21)19-17(12,3)24/h4-6,9,12,18,24H,7-8H2,1-3H3,(H,19,21)
InChIKeyPRTLWAXWFCVVQU-UHFFFAOYSA-N
XLogP1.09
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1-methyl-2,6-dioxopiperidin-3-yl)-4-(propan-2-ylamino)isoindole-1,3-dione
CID 162432126
2-[(3R)-2,6-dioxopiperidin-3-yl]-4-(methylamino)isoindole-1,3-dione
CID 139441450
4-(cyclopentylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 153358702
4-(cyclohexylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 146870687
3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl carbamate
CID 175077402
(2R)-2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]propanoic acid
CID 166426172
3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-methylpropanal
CID 176695128
4-[[(2R)-3-amino-2-methylpropyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 171809906
6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclodecane-1-carboxylic acid
CID 167036686
4-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
CID 171705575
4-anilino-2-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
CID 139184599
methyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-4-oxobutanoate
CID 10134792

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-2-methyl-6-oxopiperidin-3-yl)-4-(propan-2-ylamino)isoindole-1,3-dione?
The IUPAC name of 2-(2-hydroxy-2-methyl-6-oxopiperidin-3-yl)-4-(propan-2-ylamino)isoindole-1,3-dione (CID 169213660) is 2-(2-hydroxy-2-methyl-6-oxopiperidin-3-yl)-4-(propan-2-ylamino)isoindole-1,3-dione.
What is the SMILES notation for 2-(2-hydroxy-2-methyl-6-oxopiperidin-3-yl)-4-(propan-2-ylamino)isoindole-1,3-dione?
The canonical SMILES for 2-(2-hydroxy-2-methyl-6-oxopiperidin-3-yl)-4-(propan-2-ylamino)isoindole-1,3-dione is CC(C)Nc1cccc2c1C(=O)N(C1CCC(=O)NC1(C)O)C2=O.
What is the InChIKey of 2-(2-hydroxy-2-methyl-6-oxopiperidin-3-yl)-4-(propan-2-ylamino)isoindole-1,3-dione?
The InChIKey is PRTLWAXWFCVVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-9(2)18-11-6-4-5-10-14(11)16(23)20(15(10)22)12-7-8-13(21)19-17(12,3)24/h4-6,9,12,18,24H,7-8H2,1-3H3,(H,19,21).
What are the key properties of 2-(2-hydroxy-2-methyl-6-oxopiperidin-3-yl)-4-(propan-2-ylamino)isoindole-1,3-dione?
2-(2-hydroxy-2-methyl-6-oxopiperidin-3-yl)-4-(propan-2-ylamino)isoindole-1,3-dione has a molecular weight of 331.37 g/mol, XLogP of 1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-2-methyl-6-oxopiperidin-3-yl)-4-(propan-2-ylamino)isoindole-1,3-dione is sourced from PubChem (CID 169213660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).