3-(5-chloro-2-methoxyanilino)piperidine-2,6-dione

C12H13ClN2O3 — CID 146573113

IUPAC3-(5-chloro-2-methoxyanilino)piperidine-2,6-dione
SMILESCOc1ccc(Cl)cc1NC1CCC(=O)NC1=O
InChIInChI=1S/C12H13ClN2O3/c1-18-10-4-2-7(13)6-9(10)14-8-3-5-11(16)15-12(8)17/h2,4,6,8,14H,3,5H2,1H3,(H,15,16,17)
InChIKeyKOXZFARGOJVXLM-UHFFFAOYSA-N
MW268.70 g/mol
LogP1.57
Rot. Bonds3

About 3-(5-chloro-2-methoxyanilino)piperidine-2,6-dione

3-(5-chloro-2-methoxyanilino)piperidine-2,6-dione (PubChem CID 146573113) has the molecular formula C12H13ClN2O3 and a molecular weight of 268.70 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyanilino)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyanilino)piperidine-2,6-dione
PubChem CID146573113
Molecular FormulaC12H13ClN2O3
Molecular Weight268.70 g/mol
Exact Mass268.06
IUPAC Name3-(5-chloro-2-methoxyanilino)piperidine-2,6-dione
SMILESCOc1ccc(Cl)cc1NC1CCC(=O)NC1=O
InChIInChI=1S/C12H13ClN2O3/c1-18-10-4-2-7(13)6-9(10)14-8-3-5-11(16)15-12(8)17/h2,4,6,8,14H,3,5H2,1H3,(H,15,16,17)
InChIKeyKOXZFARGOJVXLM-UHFFFAOYSA-N
XLogP1.57
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 51.57
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-(5-chloro-2-methoxy-4-methylanilino)piperidine-2,6-dione;ethane
CID 170953480
3-(4-ethyl-5-fluoro-2-methoxyanilino)piperidine-2,6-dione
CID 170749804
3-(5-chloro-2-fluoroanilino)pyrrolidine-2,5-dione
CID 43637896
(2R)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 95271416
3-[4-(3,3-dimethylpiperidin-4-yl)-2-methoxyanilino]piperidine-2,6-dione
CID 178017408
1-(5-chloro-2-methoxybenzoyl)-N-(2,6-dioxopiperidin-3-yl)pyrrolidine-2-carboxamide
CID 127622849
3-(3-chloro-4-methoxyanilino)pyrrolidine-2,5-dione
CID 43637753
N-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methoxybenzamide
CID 81285163
(3R)-3-(5-chloro-2-methoxyanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 2085481
3-(5-chloro-2-methoxyanilino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 84586099
3-(4-ethyl-2,5-difluoroanilino)piperidine-2,6-dione
CID 176683649
3-[(5-chloro-1,3-benzoxazol-2-yl)amino]piperidine-2,6-dione
CID 154810801

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyanilino)piperidine-2,6-dione?
The IUPAC name of 3-(5-chloro-2-methoxyanilino)piperidine-2,6-dione (CID 146573113) is 3-(5-chloro-2-methoxyanilino)piperidine-2,6-dione.
What is the SMILES notation for 3-(5-chloro-2-methoxyanilino)piperidine-2,6-dione?
The canonical SMILES for 3-(5-chloro-2-methoxyanilino)piperidine-2,6-dione is COc1ccc(Cl)cc1NC1CCC(=O)NC1=O.
What is the InChIKey of 3-(5-chloro-2-methoxyanilino)piperidine-2,6-dione?
The InChIKey is KOXZFARGOJVXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3/c1-18-10-4-2-7(13)6-9(10)14-8-3-5-11(16)15-12(8)17/h2,4,6,8,14H,3,5H2,1H3,(H,15,16,17).
What are the key properties of 3-(5-chloro-2-methoxyanilino)piperidine-2,6-dione?
3-(5-chloro-2-methoxyanilino)piperidine-2,6-dione has a molecular weight of 268.70 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyanilino)piperidine-2,6-dione is sourced from PubChem (CID 146573113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).