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

C16H17N3O2 — CID 170024158

IUPAC3-(6-methyl-1-prop-2-enylindazol-3-yl)piperidine-2,6-dione
SMILESC=CCn1nc(C2CCC(=O)NC2=O)c2ccc(C)cc21
InChIInChI=1S/C16H17N3O2/c1-3-8-19-13-9-10(2)4-5-11(13)15(18-19)12-6-7-14(20)17-16(12)21/h3-5,9,12H,1,6-8H2,2H3,(H,17,20,21)
InChIKeyGUDWOOPSPPRYTP-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.05
Rot. Bonds3

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

3-(6-methyl-1-prop-2-enylindazol-3-yl)piperidine-2,6-dione (PubChem CID 170024158) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-(6-methyl-1-prop-2-enylindazol-3-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(6-methyl-1-prop-2-enylindazol-3-yl)piperidine-2,6-dione
PubChem CID170024158
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name3-(6-methyl-1-prop-2-enylindazol-3-yl)piperidine-2,6-dione
SMILESC=CCn1nc(C2CCC(=O)NC2=O)c2ccc(C)cc21
InChIInChI=1S/C16H17N3O2/c1-3-8-19-13-9-10(2)4-5-11(13)15(18-19)12-6-7-14(20)17-16(12)21/h3-5,9,12H,1,6-8H2,2H3,(H,17,20,21)
InChIKeyGUDWOOPSPPRYTP-UHFFFAOYSA-N
XLogP2.05
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[6-(3,3-difluoropiperidin-4-yl)-1-ethylindazol-3-yl]piperidine-2,6-dione
CID 166549772
3-(1-methyl-6-propanoylindazol-3-yl)piperidine-2,6-dione
CID 167239159
3-[5-(aminomethyl)-1-methylindazol-3-yl]piperidine-2,6-dione
CID 138460739
3-(1-methyl-6-piperidin-4-ylindazol-3-yl)piperidine-2,6-dione;hydrochloride
CID 170907583
3-(1,5-dimethyl-6-propan-2-ylindazol-3-yl)piperidine-2,6-dione
CID 178017694
3-[1-methyl-6-[(3R)-pyrrolidin-3-yl]indazol-3-yl]piperidine-2,6-dione
CID 170321612
2-[3-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]azetidin-1-yl]acetic acid
CID 166168890
3-[1-methyl-6-[(3R)-piperidin-3-yl]indazol-3-yl]piperidine-2,6-dione
CID 170321838
3-[1-methyl-6-[(4-piperidin-4-ylcyclohexyl)methyl]indazol-3-yl]piperidine-2,6-dione
CID 178160947
3-[1-methyl-6-(3-piperazin-1-ylpropoxy)indazol-3-yl]piperidine-2,6-dione
CID 170321837
3-[6-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 170434898
ethane;3-(2-fluoro-4-methylphenyl)piperidine-2,6-dione
CID 176684006

Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-1-prop-2-enylindazol-3-yl)piperidine-2,6-dione?
The IUPAC name of 3-(6-methyl-1-prop-2-enylindazol-3-yl)piperidine-2,6-dione (CID 170024158) is 3-(6-methyl-1-prop-2-enylindazol-3-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(6-methyl-1-prop-2-enylindazol-3-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(6-methyl-1-prop-2-enylindazol-3-yl)piperidine-2,6-dione is C=CCn1nc(C2CCC(=O)NC2=O)c2ccc(C)cc21.
What is the InChIKey of 3-(6-methyl-1-prop-2-enylindazol-3-yl)piperidine-2,6-dione?
The InChIKey is GUDWOOPSPPRYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-3-8-19-13-9-10(2)4-5-11(13)15(18-19)12-6-7-14(20)17-16(12)21/h3-5,9,12H,1,6-8H2,2H3,(H,17,20,21).
What are the key properties of 3-(6-methyl-1-prop-2-enylindazol-3-yl)piperidine-2,6-dione?
3-(6-methyl-1-prop-2-enylindazol-3-yl)piperidine-2,6-dione has a molecular weight of 283.33 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-1-prop-2-enylindazol-3-yl)piperidine-2,6-dione is sourced from PubChem (CID 170024158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).