3-(1-methyl-6-propanoylindazol-3-yl)piperidine-2,6-dione

C16H17N3O3 — CID 167239159

IUPAC3-(1-methyl-6-propanoylindazol-3-yl)piperidine-2,6-dione
SMILESCCC(=O)c1ccc2c(C3CCC(=O)NC3=O)nn(C)c2c1
InChIInChI=1S/C16H17N3O3/c1-3-13(20)9-4-5-10-12(8-9)19(2)18-15(10)11-6-7-14(21)17-16(11)22/h4-5,8,11H,3,6-7H2,1-2H3,(H,17,21,22)
InChIKeyNHLSQDQZVHACPM-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.69
Rot. Bonds3

About 3-(1-methyl-6-propanoylindazol-3-yl)piperidine-2,6-dione

3-(1-methyl-6-propanoylindazol-3-yl)piperidine-2,6-dione (PubChem CID 167239159) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-(1-methyl-6-propanoylindazol-3-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(1-methyl-6-propanoylindazol-3-yl)piperidine-2,6-dione
PubChem CID167239159
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name3-(1-methyl-6-propanoylindazol-3-yl)piperidine-2,6-dione
SMILESCCC(=O)c1ccc2c(C3CCC(=O)NC3=O)nn(C)c2c1
InChIInChI=1S/C16H17N3O3/c1-3-13(20)9-4-5-10-12(8-9)19(2)18-15(10)11-6-7-14(21)17-16(11)22/h4-5,8,11H,3,6-7H2,1-2H3,(H,17,21,22)
InChIKeyNHLSQDQZVHACPM-UHFFFAOYSA-N
XLogP1.69
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(6-ethyl-5-hydroxy-1-methylindazol-3-yl)piperidine-2,6-dione
CID 177160916
2-[3-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]azetidin-1-yl]acetic acid
CID 166168890
2-[1-[3-[(3R)-2,6-dioxopiperidin-3-yl]-1-methylindazol-6-yl]piperidin-4-yl]acetic acid
CID 156507226
3-(1-methyl-6-piperidin-4-ylindazol-3-yl)piperidine-2,6-dione;hydrochloride
CID 170907583
3-[1-methyl-6-[(3R)-pyrrolidin-3-yl]indazol-3-yl]piperidine-2,6-dione
CID 170321612
3-[1-methyl-6-[(3R)-piperidin-3-yl]indazol-3-yl]piperidine-2,6-dione
CID 170321838
ethyl 4-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]methyl]piperidine-1-carboxylate;hydrofluoride
CID 178160958
ethyl 4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]oxypiperidine-1-carboxylate
CID 178161660
3-[5-(aminomethyl)-1-methylindazol-3-yl]piperidine-2,6-dione
CID 138460739
3-(6-cyclohexyl-1-methylindazol-3-yl)piperidine-2,6-dione;ethyl 4-methylpiperidine-1-carboxylate
CID 178161203
3-[1-methyl-6-(3-piperazin-1-ylpropoxy)indazol-3-yl]piperidine-2,6-dione
CID 170321837
3-[1-methyl-6-[(4-piperidin-4-ylcyclohexyl)methyl]indazol-3-yl]piperidine-2,6-dione
CID 178160947

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-6-propanoylindazol-3-yl)piperidine-2,6-dione?
The IUPAC name of 3-(1-methyl-6-propanoylindazol-3-yl)piperidine-2,6-dione (CID 167239159) is 3-(1-methyl-6-propanoylindazol-3-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(1-methyl-6-propanoylindazol-3-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(1-methyl-6-propanoylindazol-3-yl)piperidine-2,6-dione is CCC(=O)c1ccc2c(C3CCC(=O)NC3=O)nn(C)c2c1.
What is the InChIKey of 3-(1-methyl-6-propanoylindazol-3-yl)piperidine-2,6-dione?
The InChIKey is NHLSQDQZVHACPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-3-13(20)9-4-5-10-12(8-9)19(2)18-15(10)11-6-7-14(21)17-16(11)22/h4-5,8,11H,3,6-7H2,1-2H3,(H,17,21,22).
What are the key properties of 3-(1-methyl-6-propanoylindazol-3-yl)piperidine-2,6-dione?
3-(1-methyl-6-propanoylindazol-3-yl)piperidine-2,6-dione has a molecular weight of 299.33 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-6-propanoylindazol-3-yl)piperidine-2,6-dione is sourced from PubChem (CID 167239159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).