3-(4-tert-butyl-3-methylindol-1-yl)-6-methylidenepiperidin-2-one

C19H24N2O — CID 170129226

IUPAC3-(4-tert-butyl-3-methylindol-1-yl)-6-methylidenepiperidin-2-one
SMILESC=C1CCC(n2cc(C)c3c(C(C)(C)C)cccc32)C(=O)N1
InChIInChI=1S/C19H24N2O/c1-12-11-21(16-10-9-13(2)20-18(16)22)15-8-6-7-14(17(12)15)19(3,4)5/h6-8,11,16H,2,9-10H2,1,3-5H3,(H,20,22)
InChIKeyWFPRTCAASSFIPF-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.21
Rot. Bonds1

About 3-(4-tert-butyl-3-methylindol-1-yl)-6-methylidenepiperidin-2-one

3-(4-tert-butyl-3-methylindol-1-yl)-6-methylidenepiperidin-2-one (PubChem CID 170129226) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-(4-tert-butyl-3-methylindol-1-yl)-6-methylidenepiperidin-2-one.

Molecular Properties

Compound Name3-(4-tert-butyl-3-methylindol-1-yl)-6-methylidenepiperidin-2-one
PubChem CID170129226
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name3-(4-tert-butyl-3-methylindol-1-yl)-6-methylidenepiperidin-2-one
SMILESC=C1CCC(n2cc(C)c3c(C(C)(C)C)cccc32)C(=O)N1
InChIInChI=1S/C19H24N2O/c1-12-11-21(16-10-9-13(2)20-18(16)22)15-8-6-7-14(17(12)15)19(3,4)5/h6-8,11,16H,2,9-10H2,1,3-5H3,(H,20,22)
InChIKeyWFPRTCAASSFIPF-UHFFFAOYSA-N
XLogP4.21
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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-(7-tert-butyl-3-methylindazol-1-yl)-6-methylidenepiperidin-2-one
CID 170129239
3-(3-methylindol-1-yl)piperidine-2,6-dione
CID 138467080
3-(7-tert-butyl-3-oxo-1,2-dihydroinden-2-yl)-6-methylidenepiperidin-2-one
CID 164983292
4-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 145202026
3-(6-methyl-1,3-dimethylidenebenzo[de]isoquinolin-2-yl)-6-methylidenepiperidin-2-one
CID 171106473
3-(4-tert-butyl-2-methylphenyl)-6-methylidenepiperidin-2-one
CID 170079675
3-(2-tert-butylanilino)-6-methylidenepiperidin-2-one
CID 170079741
3-(4-fluoro-3-methyl-5-propan-2-ylindol-1-yl)piperidine-2,6-dione
CID 170953295
3-(8-tert-butylimidazo[1,2-a]pyridin-2-yl)-6-methylidenepiperidin-2-one
CID 170129244
4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;7-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;methane
CID 165070721

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butyl-3-methylindol-1-yl)-6-methylidenepiperidin-2-one?
The IUPAC name of 3-(4-tert-butyl-3-methylindol-1-yl)-6-methylidenepiperidin-2-one (CID 170129226) is 3-(4-tert-butyl-3-methylindol-1-yl)-6-methylidenepiperidin-2-one.
What is the SMILES notation for 3-(4-tert-butyl-3-methylindol-1-yl)-6-methylidenepiperidin-2-one?
The canonical SMILES for 3-(4-tert-butyl-3-methylindol-1-yl)-6-methylidenepiperidin-2-one is C=C1CCC(n2cc(C)c3c(C(C)(C)C)cccc32)C(=O)N1.
What is the InChIKey of 3-(4-tert-butyl-3-methylindol-1-yl)-6-methylidenepiperidin-2-one?
The InChIKey is WFPRTCAASSFIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-12-11-21(16-10-9-13(2)20-18(16)22)15-8-6-7-14(17(12)15)19(3,4)5/h6-8,11,16H,2,9-10H2,1,3-5H3,(H,20,22).
What are the key properties of 3-(4-tert-butyl-3-methylindol-1-yl)-6-methylidenepiperidin-2-one?
3-(4-tert-butyl-3-methylindol-1-yl)-6-methylidenepiperidin-2-one has a molecular weight of 296.41 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butyl-3-methylindol-1-yl)-6-methylidenepiperidin-2-one is sourced from PubChem (CID 170129226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).