3-(1,5-dimethyl-6-propan-2-ylindazol-3-yl)piperidine-2,6-dione

C17H21N3O2 — CID 178017694

IUPAC3-(1,5-dimethyl-6-propan-2-ylindazol-3-yl)piperidine-2,6-dione
SMILESCc1cc2c(C3CCC(=O)NC3=O)nn(C)c2cc1C(C)C
InChIInChI=1S/C17H21N3O2/c1-9(2)12-8-14-13(7-10(12)3)16(19-20(14)4)11-5-6-15(21)18-17(11)22/h7-9,11H,5-6H2,1-4H3,(H,18,21,22)
InChIKeyIUPOWKHGZPYSAP-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.53
Rot. Bonds2

About 3-(1,5-dimethyl-6-propan-2-ylindazol-3-yl)piperidine-2,6-dione

3-(1,5-dimethyl-6-propan-2-ylindazol-3-yl)piperidine-2,6-dione (PubChem CID 178017694) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-(1,5-dimethyl-6-propan-2-ylindazol-3-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(1,5-dimethyl-6-propan-2-ylindazol-3-yl)piperidine-2,6-dione
PubChem CID178017694
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name3-(1,5-dimethyl-6-propan-2-ylindazol-3-yl)piperidine-2,6-dione
SMILESCc1cc2c(C3CCC(=O)NC3=O)nn(C)c2cc1C(C)C
InChIInChI=1S/C17H21N3O2/c1-9(2)12-8-14-13(7-10(12)3)16(19-20(14)4)11-5-6-15(21)18-17(11)22/h7-9,11H,5-6H2,1-4H3,(H,18,21,22)
InChIKeyIUPOWKHGZPYSAP-UHFFFAOYSA-N
XLogP2.53
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
3-[5-fluoro-1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]piperidine-2,6-dione
CID 170931692
3-(6-ethynyl-5-fluoro-1-methylindazol-3-yl)piperidine-2,6-dione
CID 176508925
3-[5-(aminomethyl)-1-methylindazol-3-yl]piperidine-2,6-dione
CID 138460739
3-[1-methyl-6-[(3R)-piperidin-3-yl]indazol-3-yl]piperidine-2,6-dione
CID 170321838
1-[3-(2,6-dioxopiperidin-3-yl)-5-fluoro-1-methylindazol-6-yl]piperidine-4-carbaldehyde
CID 177144627
3-(1-methyl-6-propanoylindazol-3-yl)piperidine-2,6-dione
CID 167239159
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-[1-(1-piperidin-4-ylethyl)piperidin-4-yl]indazol-3-yl]piperidine-2,6-dione
CID 170432767
3-(7-amino-1-methylindazol-3-yl)piperidine-2,6-dione
CID 162510232
3-[1-methyl-6-(3-methyl-2-oxopiperidin-1-yl)indazol-3-yl]piperidine-2,6-dione
CID 176947865

Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dimethyl-6-propan-2-ylindazol-3-yl)piperidine-2,6-dione?
The IUPAC name of 3-(1,5-dimethyl-6-propan-2-ylindazol-3-yl)piperidine-2,6-dione (CID 178017694) is 3-(1,5-dimethyl-6-propan-2-ylindazol-3-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(1,5-dimethyl-6-propan-2-ylindazol-3-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(1,5-dimethyl-6-propan-2-ylindazol-3-yl)piperidine-2,6-dione is Cc1cc2c(C3CCC(=O)NC3=O)nn(C)c2cc1C(C)C.
What is the InChIKey of 3-(1,5-dimethyl-6-propan-2-ylindazol-3-yl)piperidine-2,6-dione?
The InChIKey is IUPOWKHGZPYSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-9(2)12-8-14-13(7-10(12)3)16(19-20(14)4)11-5-6-15(21)18-17(11)22/h7-9,11H,5-6H2,1-4H3,(H,18,21,22).
What are the key properties of 3-(1,5-dimethyl-6-propan-2-ylindazol-3-yl)piperidine-2,6-dione?
3-(1,5-dimethyl-6-propan-2-ylindazol-3-yl)piperidine-2,6-dione has a molecular weight of 299.37 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dimethyl-6-propan-2-ylindazol-3-yl)piperidine-2,6-dione is sourced from PubChem (CID 178017694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).