5,6-dichloro-2-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione

C17H18Cl2N2O3 — CID 2654484

IUPAC5,6-dichloro-2-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
SMILESC[C@@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O
InChIInChI=1S/C17H18Cl2N2O3/c1-9-4-3-5-10(2)21(9)15(22)8-20-16(23)11-6-13(18)14(19)7-12(11)17(20)24/h6-7,9-10H,3-5,8H2,1-2H3/t9-,10-/m1/s1
InChIKeyFHQFSSJTOREFSY-NXEZZACHSA-N
MW369.25 g/mol
LogP3.38
Rot. Bonds2

About 5,6-dichloro-2-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione

5,6-dichloro-2-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione (PubChem CID 2654484) has the molecular formula C17H18Cl2N2O3 and a molecular weight of 369.25 g/mol. Its IUPAC name is 5,6-dichloro-2-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name5,6-dichloro-2-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
PubChem CID2654484
Molecular FormulaC17H18Cl2N2O3
Molecular Weight369.25 g/mol
Exact Mass368.07
IUPAC Name5,6-dichloro-2-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
SMILESC[C@@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O
InChIInChI=1S/C17H18Cl2N2O3/c1-9-4-3-5-10(2)21(9)15(22)8-20-16(23)11-6-13(18)14(19)7-12(11)17(20)24/h6-7,9-10H,3-5,8H2,1-2H3/t9-,10-/m1/s1
InChIKeyFHQFSSJTOREFSY-NXEZZACHSA-N
XLogP3.38
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.25
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5,6-dichloro-2-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione with MolForge

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Related Compounds

2-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5,6-dichloroisoindole-1,3-dione
CID 66795078
(5R)-5-(2,4-dichlorophenyl)-3-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 2703074
1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone
CID 1293391
5,6-dichloro-2-(2-morpholin-4-yl-2-oxoethyl)isoindole-1,3-dione
CID 2411932
N-(cyclopentylmethyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
CID 39211611
(5R)-5-(4-chlorophenyl)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7240449
3-chloro-1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-5-nitropyridin-2-one
CID 71875208
N-(cyclopentylcarbamoyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
CID 2708398
(5R)-5-(4-chlorophenyl)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-ethylimidazolidine-2,4-dione
CID 124719940
1-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione
CID 7888512
5,6-dichloro-2-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]isoindole-1,3-dione
CID 7880241
2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]pyrazole-3-carboxamide
CID 99802787

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione?
The IUPAC name of 5,6-dichloro-2-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione (CID 2654484) is 5,6-dichloro-2-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione.
What is the SMILES notation for 5,6-dichloro-2-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione?
The canonical SMILES for 5,6-dichloro-2-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione is C[C@@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O.
What is the InChIKey of 5,6-dichloro-2-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione?
The InChIKey is FHQFSSJTOREFSY-NXEZZACHSA-N. The full InChI is InChI=1S/C17H18Cl2N2O3/c1-9-4-3-5-10(2)21(9)15(22)8-20-16(23)11-6-13(18)14(19)7-12(11)17(20)24/h6-7,9-10H,3-5,8H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of 5,6-dichloro-2-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione?
5,6-dichloro-2-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione has a molecular weight of 369.25 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione is sourced from PubChem (CID 2654484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).