3-(7-tert-butyl-3-methylindazol-1-yl)-6-methylidenepiperidin-2-one

C18H23N3O — CID 170129239

IUPAC3-(7-tert-butyl-3-methylindazol-1-yl)-6-methylidenepiperidin-2-one
SMILESC=C1CCC(n2nc(C)c3cccc(C(C)(C)C)c32)C(=O)N1
InChIInChI=1S/C18H23N3O/c1-11-9-10-15(17(22)19-11)21-16-13(12(2)20-21)7-6-8-14(16)18(3,4)5/h6-8,15H,1,9-10H2,2-5H3,(H,19,22)
InChIKeyCRYRRVHDSRCNCJ-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.61
Rot. Bonds1

About 3-(7-tert-butyl-3-methylindazol-1-yl)-6-methylidenepiperidin-2-one

3-(7-tert-butyl-3-methylindazol-1-yl)-6-methylidenepiperidin-2-one (PubChem CID 170129239) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-(7-tert-butyl-3-methylindazol-1-yl)-6-methylidenepiperidin-2-one.

Molecular Properties

Compound Name3-(7-tert-butyl-3-methylindazol-1-yl)-6-methylidenepiperidin-2-one
PubChem CID170129239
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name3-(7-tert-butyl-3-methylindazol-1-yl)-6-methylidenepiperidin-2-one
SMILESC=C1CCC(n2nc(C)c3cccc(C(C)(C)C)c32)C(=O)N1
InChIInChI=1S/C18H23N3O/c1-11-9-10-15(17(22)19-11)21-16-13(12(2)20-21)7-6-8-14(16)18(3,4)5/h6-8,15H,1,9-10H2,2-5H3,(H,19,22)
InChIKeyCRYRRVHDSRCNCJ-UHFFFAOYSA-N
XLogP3.61
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(7-tert-butyl-3-methylindazol-1-yl)-6-methylidenepiperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-tert-butylbenzimidazol-1-yl)-6-methylidenepiperidin-2-one
CID 170129221
3-(7-tert-butyl-2,3-dihydroindol-1-yl)-6-methylidenepiperidin-2-one
CID 170079417
3-(4-tert-butyl-3-methylindol-1-yl)-6-methylidenepiperidin-2-one
CID 170129226
3-(4-methoxyindazol-1-yl)-6-methylidenepiperidin-2-one
CID 167296952
3-(5-tert-butyl-4-oxo-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione
CID 162504418
3-(6-methyl-1,3-dimethylidenebenzo[de]isoquinolin-2-yl)-6-methylidenepiperidin-2-one
CID 171106473
3-(7-tert-butyl-3-oxo-1,2-dihydroinden-2-yl)-6-methylidenepiperidin-2-one
CID 164983292
3-(4-tert-butyl-2-methylphenyl)-6-methylidenepiperidin-2-one
CID 170079675
3-(2-tert-butylanilino)-6-methylidenepiperidin-2-one
CID 170079741
5-chloro-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one
CID 174167936
3-(8-tert-butylimidazo[1,2-a]pyridin-2-yl)-6-methylidenepiperidin-2-one
CID 170129244
5-tert-butyl-4-chloro-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one
CID 158005992

Frequently Asked Questions

What is the IUPAC name of 3-(7-tert-butyl-3-methylindazol-1-yl)-6-methylidenepiperidin-2-one?
The IUPAC name of 3-(7-tert-butyl-3-methylindazol-1-yl)-6-methylidenepiperidin-2-one (CID 170129239) is 3-(7-tert-butyl-3-methylindazol-1-yl)-6-methylidenepiperidin-2-one.
What is the SMILES notation for 3-(7-tert-butyl-3-methylindazol-1-yl)-6-methylidenepiperidin-2-one?
The canonical SMILES for 3-(7-tert-butyl-3-methylindazol-1-yl)-6-methylidenepiperidin-2-one is C=C1CCC(n2nc(C)c3cccc(C(C)(C)C)c32)C(=O)N1.
What is the InChIKey of 3-(7-tert-butyl-3-methylindazol-1-yl)-6-methylidenepiperidin-2-one?
The InChIKey is CRYRRVHDSRCNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-11-9-10-15(17(22)19-11)21-16-13(12(2)20-21)7-6-8-14(16)18(3,4)5/h6-8,15H,1,9-10H2,2-5H3,(H,19,22).
What are the key properties of 3-(7-tert-butyl-3-methylindazol-1-yl)-6-methylidenepiperidin-2-one?
3-(7-tert-butyl-3-methylindazol-1-yl)-6-methylidenepiperidin-2-one has a molecular weight of 297.40 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-tert-butyl-3-methylindazol-1-yl)-6-methylidenepiperidin-2-one is sourced from PubChem (CID 170129239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).