3-cyclobutyl-2-(2,6-dioxopiperidin-3-yl)-3-methyl-1-oxoisoindole-5-carboxamide

C19H21N3O4 — CID 175522806

IUPAC3-cyclobutyl-2-(2,6-dioxopiperidin-3-yl)-3-methyl-1-oxoisoindole-5-carboxamide
SMILESCC1(C2CCC2)c2cc(C(N)=O)ccc2C(=O)N1C1CCC(=O)NC1=O
InChIInChI=1S/C19H21N3O4/c1-19(11-3-2-4-11)13-9-10(16(20)24)5-6-12(13)18(26)22(19)14-7-8-15(23)21-17(14)25/h5-6,9,11,14H,2-4,7-8H2,1H3,(H2,20,24)(H,21,23,25)
InChIKeyWHUGTDYWFNMODY-UHFFFAOYSA-N
MW355.39 g/mol
LogP1.06
Rot. Bonds3

About 3-cyclobutyl-2-(2,6-dioxopiperidin-3-yl)-3-methyl-1-oxoisoindole-5-carboxamide

3-cyclobutyl-2-(2,6-dioxopiperidin-3-yl)-3-methyl-1-oxoisoindole-5-carboxamide (PubChem CID 175522806) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 3-cyclobutyl-2-(2,6-dioxopiperidin-3-yl)-3-methyl-1-oxoisoindole-5-carboxamide.

Molecular Properties

Compound Name3-cyclobutyl-2-(2,6-dioxopiperidin-3-yl)-3-methyl-1-oxoisoindole-5-carboxamide
PubChem CID175522806
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name3-cyclobutyl-2-(2,6-dioxopiperidin-3-yl)-3-methyl-1-oxoisoindole-5-carboxamide
SMILESCC1(C2CCC2)c2cc(C(N)=O)ccc2C(=O)N1C1CCC(=O)NC1=O
InChIInChI=1S/C19H21N3O4/c1-19(11-3-2-4-11)13-9-10(16(20)24)5-6-12(13)18(26)22(19)14-7-8-15(23)21-17(14)25/h5-6,9,11,14H,2-4,7-8H2,1H3,(H2,20,24)(H,21,23,25)
InChIKeyWHUGTDYWFNMODY-UHFFFAOYSA-N
XLogP1.06
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3'-oxo-6'-propan-2-ylspiro[cyclopropane-1,1'-isoindole]-2'-yl)piperidine-2,6-dione
CID 170081902
3-[(1S)-1-(4-chlorophenyl)ethyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
CID 164736225
3-(1,7-diamino-1-hydroxy-3-oxoisoindol-2-yl)piperidine-2,6-dione
CID 91340958
3-[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
CID 164736217
2-(2,6-dioxopiperidin-3-yl)-N-[(1-ethylcyclopentyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 166426918
3-[6-(2-methylpropanoyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177251287
3-[(3,3-difluorocyclobutyl)-(4-fluorophenyl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
CID 170982898
3-[6-(2,5-dihydropyrrole-1-carbonyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146150009
N-(3-aminopropyl)-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 166000888
3-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1-methylpyrazol-5-yl]benzamide
CID 171075340
3-[(1R)-1-(4-cyanophenyl)-2,2,2-trifluoroethyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
CID 164736186
4-acetyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]benzamide
CID 71122531

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-2-(2,6-dioxopiperidin-3-yl)-3-methyl-1-oxoisoindole-5-carboxamide?
The IUPAC name of 3-cyclobutyl-2-(2,6-dioxopiperidin-3-yl)-3-methyl-1-oxoisoindole-5-carboxamide (CID 175522806) is 3-cyclobutyl-2-(2,6-dioxopiperidin-3-yl)-3-methyl-1-oxoisoindole-5-carboxamide.
What is the SMILES notation for 3-cyclobutyl-2-(2,6-dioxopiperidin-3-yl)-3-methyl-1-oxoisoindole-5-carboxamide?
The canonical SMILES for 3-cyclobutyl-2-(2,6-dioxopiperidin-3-yl)-3-methyl-1-oxoisoindole-5-carboxamide is CC1(C2CCC2)c2cc(C(N)=O)ccc2C(=O)N1C1CCC(=O)NC1=O.
What is the InChIKey of 3-cyclobutyl-2-(2,6-dioxopiperidin-3-yl)-3-methyl-1-oxoisoindole-5-carboxamide?
The InChIKey is WHUGTDYWFNMODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-19(11-3-2-4-11)13-9-10(16(20)24)5-6-12(13)18(26)22(19)14-7-8-15(23)21-17(14)25/h5-6,9,11,14H,2-4,7-8H2,1H3,(H2,20,24)(H,21,23,25).
What are the key properties of 3-cyclobutyl-2-(2,6-dioxopiperidin-3-yl)-3-methyl-1-oxoisoindole-5-carboxamide?
3-cyclobutyl-2-(2,6-dioxopiperidin-3-yl)-3-methyl-1-oxoisoindole-5-carboxamide has a molecular weight of 355.39 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-2-(2,6-dioxopiperidin-3-yl)-3-methyl-1-oxoisoindole-5-carboxamide is sourced from PubChem (CID 175522806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).