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

C18H24N2O — CID 170079417

IUPAC3-(7-tert-butyl-2,3-dihydroindol-1-yl)-6-methylidenepiperidin-2-one
SMILESC=C1CCC(N2CCc3cccc(C(C)(C)C)c32)C(=O)N1
InChIInChI=1S/C18H24N2O/c1-12-8-9-15(17(21)19-12)20-11-10-13-6-5-7-14(16(13)20)18(2,3)4/h5-7,15H,1,8-11H2,2-4H3,(H,19,21)
InChIKeyYMDXOLYCAHVNEK-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.14
Rot. Bonds1

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

3-(7-tert-butyl-2,3-dihydroindol-1-yl)-6-methylidenepiperidin-2-one (PubChem CID 170079417) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-(7-tert-butyl-2,3-dihydroindol-1-yl)-6-methylidenepiperidin-2-one.

Molecular Properties

Compound Name3-(7-tert-butyl-2,3-dihydroindol-1-yl)-6-methylidenepiperidin-2-one
PubChem CID170079417
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name3-(7-tert-butyl-2,3-dihydroindol-1-yl)-6-methylidenepiperidin-2-one
SMILESC=C1CCC(N2CCc3cccc(C(C)(C)C)c32)C(=O)N1
InChIInChI=1S/C18H24N2O/c1-12-8-9-15(17(21)19-12)20-11-10-13-6-5-7-14(16(13)20)18(2,3)4/h5-7,15H,1,8-11H2,2-4H3,(H,19,21)
InChIKeyYMDXOLYCAHVNEK-UHFFFAOYSA-N
XLogP3.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.14
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-(4-tert-butyl-3-methylindol-1-yl)-6-methylidenepiperidin-2-one
CID 170129226
5-tert-butyl-6-fluoro-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one
CID 157204603
5-tert-butyl-4-chloro-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one
CID 158005992
3-(7-tert-butyl-3-methylindazol-1-yl)-6-methylidenepiperidin-2-one
CID 170129239
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
3-(7-tert-butyl-3-oxo-1,2-dihydroinden-2-yl)-6-methylidenepiperidin-2-one
CID 164983292
3-(1,3-dihydroisoindol-2-yl)-6-methylidenepiperidin-2-one
CID 170009468
3-(2-tert-butylanilino)-6-methylidenepiperidin-2-one
CID 170079741
5-tert-butyl-7-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 161388015
3-(8-tert-butylimidazo[1,2-a]pyridin-2-yl)-6-methylidenepiperidin-2-one
CID 170129244
4-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 145202026

Frequently Asked Questions

What is the IUPAC name of 3-(7-tert-butyl-2,3-dihydroindol-1-yl)-6-methylidenepiperidin-2-one?
The IUPAC name of 3-(7-tert-butyl-2,3-dihydroindol-1-yl)-6-methylidenepiperidin-2-one (CID 170079417) is 3-(7-tert-butyl-2,3-dihydroindol-1-yl)-6-methylidenepiperidin-2-one.
What is the SMILES notation for 3-(7-tert-butyl-2,3-dihydroindol-1-yl)-6-methylidenepiperidin-2-one?
The canonical SMILES for 3-(7-tert-butyl-2,3-dihydroindol-1-yl)-6-methylidenepiperidin-2-one is C=C1CCC(N2CCc3cccc(C(C)(C)C)c32)C(=O)N1.
What is the InChIKey of 3-(7-tert-butyl-2,3-dihydroindol-1-yl)-6-methylidenepiperidin-2-one?
The InChIKey is YMDXOLYCAHVNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-12-8-9-15(17(21)19-12)20-11-10-13-6-5-7-14(16(13)20)18(2,3)4/h5-7,15H,1,8-11H2,2-4H3,(H,19,21).
What are the key properties of 3-(7-tert-butyl-2,3-dihydroindol-1-yl)-6-methylidenepiperidin-2-one?
3-(7-tert-butyl-2,3-dihydroindol-1-yl)-6-methylidenepiperidin-2-one has a molecular weight of 284.40 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-tert-butyl-2,3-dihydroindol-1-yl)-6-methylidenepiperidin-2-one is sourced from PubChem (CID 170079417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).