3-(4-tert-butyl-2-methylphenyl)-6-methylidenepiperidin-2-one

C17H23NO — CID 170079675

IUPAC3-(4-tert-butyl-2-methylphenyl)-6-methylidenepiperidin-2-one
SMILESC=C1CCC(c2ccc(C(C)(C)C)cc2C)C(=O)N1
InChIInChI=1S/C17H23NO/c1-11-10-13(17(3,4)5)7-9-14(11)15-8-6-12(2)18-16(15)19/h7,9-10,15H,2,6,8H2,1,3-5H3,(H,18,19)
InChIKeyJETGDUBGDMQVAA-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.80
Rot. Bonds1

About 3-(4-tert-butyl-2-methylphenyl)-6-methylidenepiperidin-2-one

3-(4-tert-butyl-2-methylphenyl)-6-methylidenepiperidin-2-one (PubChem CID 170079675) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-(4-tert-butyl-2-methylphenyl)-6-methylidenepiperidin-2-one.

Molecular Properties

Compound Name3-(4-tert-butyl-2-methylphenyl)-6-methylidenepiperidin-2-one
PubChem CID170079675
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name3-(4-tert-butyl-2-methylphenyl)-6-methylidenepiperidin-2-one
SMILESC=C1CCC(c2ccc(C(C)(C)C)cc2C)C(=O)N1
InChIInChI=1S/C17H23NO/c1-11-10-13(17(3,4)5)7-9-14(11)15-8-6-12(2)18-16(15)19/h7,9-10,15H,2,6,8H2,1,3-5H3,(H,18,19)
InChIKeyJETGDUBGDMQVAA-UHFFFAOYSA-N
XLogP3.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-tert-butylphenyl)-5-methylidenepyrrolidin-2-one
CID 170079677
3-(6-tert-butyl-3-pyridinyl)-6-methylidenepiperidin-2-one
CID 170129166
3-(5-tert-butyl-4-fluoro-2-methylphenyl)piperidine-2,6-dione
CID 170052283
3-(6-tert-butyl-2-methyl-3-pyridinyl)piperidine-2,6-dione
CID 170144934
3-(4-tert-butyl-3-methylindol-1-yl)-6-methylidenepiperidin-2-one
CID 170129226
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-(7-tert-butyl-3-oxo-1,2-dihydroinden-2-yl)-6-methylidenepiperidin-2-one
CID 164983292
3-[(6-tert-butyl-3-pyridinyl)-methylamino]-6-methylidenepiperidin-2-one
CID 157299388
3-(2-hydroxy-4-methylphenyl)piperidine-2,6-dione
CID 171127244
3-(8-tert-butylimidazo[1,2-a]pyridin-2-yl)-6-methylidenepiperidin-2-one
CID 170129244
3-(2-tert-butylanilino)-6-methylidenepiperidin-2-one
CID 170079741

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butyl-2-methylphenyl)-6-methylidenepiperidin-2-one?
The IUPAC name of 3-(4-tert-butyl-2-methylphenyl)-6-methylidenepiperidin-2-one (CID 170079675) is 3-(4-tert-butyl-2-methylphenyl)-6-methylidenepiperidin-2-one.
What is the SMILES notation for 3-(4-tert-butyl-2-methylphenyl)-6-methylidenepiperidin-2-one?
The canonical SMILES for 3-(4-tert-butyl-2-methylphenyl)-6-methylidenepiperidin-2-one is C=C1CCC(c2ccc(C(C)(C)C)cc2C)C(=O)N1.
What is the InChIKey of 3-(4-tert-butyl-2-methylphenyl)-6-methylidenepiperidin-2-one?
The InChIKey is JETGDUBGDMQVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-11-10-13(17(3,4)5)7-9-14(11)15-8-6-12(2)18-16(15)19/h7,9-10,15H,2,6,8H2,1,3-5H3,(H,18,19).
What are the key properties of 3-(4-tert-butyl-2-methylphenyl)-6-methylidenepiperidin-2-one?
3-(4-tert-butyl-2-methylphenyl)-6-methylidenepiperidin-2-one has a molecular weight of 257.38 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butyl-2-methylphenyl)-6-methylidenepiperidin-2-one is sourced from PubChem (CID 170079675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).