3-(2-tert-butylanilino)-6-methylidenepiperidin-2-one

C16H22N2O — CID 170079741

IUPAC3-(2-tert-butylanilino)-6-methylidenepiperidin-2-one
SMILESC=C1CCC(Nc2ccccc2C(C)(C)C)C(=O)N1
InChIInChI=1S/C16H22N2O/c1-11-9-10-14(15(19)17-11)18-13-8-6-5-7-12(13)16(2,3)4/h5-8,14,18H,1,9-10H2,2-4H3,(H,17,19)
InChIKeyNRQOSWRLIAUDRU-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.19
Rot. Bonds2

About 3-(2-tert-butylanilino)-6-methylidenepiperidin-2-one

3-(2-tert-butylanilino)-6-methylidenepiperidin-2-one (PubChem CID 170079741) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 3-(2-tert-butylanilino)-6-methylidenepiperidin-2-one.

Molecular Properties

Compound Name3-(2-tert-butylanilino)-6-methylidenepiperidin-2-one
PubChem CID170079741
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name3-(2-tert-butylanilino)-6-methylidenepiperidin-2-one
SMILESC=C1CCC(Nc2ccccc2C(C)(C)C)C(=O)N1
InChIInChI=1S/C16H22N2O/c1-11-9-10-14(15(19)17-11)18-13-8-6-5-7-12(13)16(2,3)4/h5-8,14,18H,1,9-10H2,2-4H3,(H,17,19)
InChIKeyNRQOSWRLIAUDRU-UHFFFAOYSA-N
XLogP3.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(2-tert-butylanilino)-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-(7-tert-butyl-3-oxo-1,2-dihydroinden-2-yl)-6-methylidenepiperidin-2-one
CID 164983292
3-(8-tert-butylimidazo[1,2-a]pyridin-2-yl)-6-methylidenepiperidin-2-one
CID 170129244
3-(7-tert-butyl-2,3-dihydroindol-1-yl)-6-methylidenepiperidin-2-one
CID 170079417
ethane;ethene;3-(2-fluoroanilino)piperidine-2,6-dione;molecular hydrogen
CID 176683577
N-(2-tert-butylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116530861
N-(2-tert-butylphenyl)azetidin-3-amine
CID 59577018
5-[(2-tert-butylanilino)methyl]pyrrolidin-2-one
CID 107529499
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
3-(7-tert-butyl-3-methylindazol-1-yl)-6-methylidenepiperidin-2-one
CID 170129239
3-(2-iodoanilino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313143
3-(2-bromoanilino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313090

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butylanilino)-6-methylidenepiperidin-2-one?
The IUPAC name of 3-(2-tert-butylanilino)-6-methylidenepiperidin-2-one (CID 170079741) is 3-(2-tert-butylanilino)-6-methylidenepiperidin-2-one.
What is the SMILES notation for 3-(2-tert-butylanilino)-6-methylidenepiperidin-2-one?
The canonical SMILES for 3-(2-tert-butylanilino)-6-methylidenepiperidin-2-one is C=C1CCC(Nc2ccccc2C(C)(C)C)C(=O)N1.
What is the InChIKey of 3-(2-tert-butylanilino)-6-methylidenepiperidin-2-one?
The InChIKey is NRQOSWRLIAUDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11-9-10-14(15(19)17-11)18-13-8-6-5-7-12(13)16(2,3)4/h5-8,14,18H,1,9-10H2,2-4H3,(H,17,19).
What are the key properties of 3-(2-tert-butylanilino)-6-methylidenepiperidin-2-one?
3-(2-tert-butylanilino)-6-methylidenepiperidin-2-one has a molecular weight of 258.37 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butylanilino)-6-methylidenepiperidin-2-one is sourced from PubChem (CID 170079741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).