3-[(6-tert-butyl-3-pyridinyl)-methylamino]-6-methylidenepiperidin-2-one

C16H23N3O — CID 157299388

IUPAC3-[(6-tert-butyl-3-pyridinyl)-methylamino]-6-methylidenepiperidin-2-one
SMILESC=C1CCC(N(C)c2ccc(C(C)(C)C)nc2)C(=O)N1
InChIInChI=1S/C16H23N3O/c1-11-6-8-13(15(20)18-11)19(5)12-7-9-14(17-10-12)16(2,3)4/h7,9-10,13H,1,6,8H2,2-5H3,(H,18,20)
InChIKeyIHPMUMHJXFXBGC-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.61
Rot. Bonds2

About 3-[(6-tert-butyl-3-pyridinyl)-methylamino]-6-methylidenepiperidin-2-one

3-[(6-tert-butyl-3-pyridinyl)-methylamino]-6-methylidenepiperidin-2-one (PubChem CID 157299388) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[(6-tert-butyl-3-pyridinyl)-methylamino]-6-methylidenepiperidin-2-one.

Molecular Properties

Compound Name3-[(6-tert-butyl-3-pyridinyl)-methylamino]-6-methylidenepiperidin-2-one
PubChem CID157299388
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-[(6-tert-butyl-3-pyridinyl)-methylamino]-6-methylidenepiperidin-2-one
SMILESC=C1CCC(N(C)c2ccc(C(C)(C)C)nc2)C(=O)N1
InChIInChI=1S/C16H23N3O/c1-11-6-8-13(15(20)18-11)19(5)12-7-9-14(17-10-12)16(2,3)4/h7,9-10,13H,1,6,8H2,2-5H3,(H,18,20)
InChIKeyIHPMUMHJXFXBGC-UHFFFAOYSA-N
XLogP2.61
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-tert-butyl-3-pyridinyl)-6-methylidenepiperidin-2-one
CID 170129166
3-[(2-tert-butyl-4-pyridinyl)methyl]-6-methylidenepiperidin-2-one
CID 167616983
bis(5-tert-butyl-N-(6-methylidene-2-oxopiperidin-3-yl)pyridine-2-carboxamide);3-[(6-tert-butyl-3-pyridinyl)amino]-6-methylidenepiperidin-2-one
CID 167577573
3-(4-tert-butyl-2-methylphenyl)-6-methylidenepiperidin-2-one
CID 170079675
3-(4-tert-butylbenzimidazol-1-yl)-6-methylidenepiperidin-2-one
CID 170129221
3-(6-tert-butyl-2-methyl-3-pyridinyl)piperidine-2,6-dione
CID 170144934
5-(3,4-dichloro-N-methylanilino)-6-methylidenepiperidin-2-one
CID 157209657
4-(6-tert-butyl-3-pyridinyl)-N,N-dimethylaniline
CID 20709653
3-(7-tert-butyl-3-oxo-1,2-dihydroinden-2-yl)-6-methylidenepiperidin-2-one
CID 164983292
3-(4-tert-butyl-3-methylindol-1-yl)-6-methylidenepiperidin-2-one
CID 170129226
3-(2-tert-butylanilino)-6-methylidenepiperidin-2-one
CID 170079741
3-(7-tert-butyl-2,3-dihydroindol-1-yl)-6-methylidenepiperidin-2-one
CID 170079417

Frequently Asked Questions

What is the IUPAC name of 3-[(6-tert-butyl-3-pyridinyl)-methylamino]-6-methylidenepiperidin-2-one?
The IUPAC name of 3-[(6-tert-butyl-3-pyridinyl)-methylamino]-6-methylidenepiperidin-2-one (CID 157299388) is 3-[(6-tert-butyl-3-pyridinyl)-methylamino]-6-methylidenepiperidin-2-one.
What is the SMILES notation for 3-[(6-tert-butyl-3-pyridinyl)-methylamino]-6-methylidenepiperidin-2-one?
The canonical SMILES for 3-[(6-tert-butyl-3-pyridinyl)-methylamino]-6-methylidenepiperidin-2-one is C=C1CCC(N(C)c2ccc(C(C)(C)C)nc2)C(=O)N1.
What is the InChIKey of 3-[(6-tert-butyl-3-pyridinyl)-methylamino]-6-methylidenepiperidin-2-one?
The InChIKey is IHPMUMHJXFXBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11-6-8-13(15(20)18-11)19(5)12-7-9-14(17-10-12)16(2,3)4/h7,9-10,13H,1,6,8H2,2-5H3,(H,18,20).
What are the key properties of 3-[(6-tert-butyl-3-pyridinyl)-methylamino]-6-methylidenepiperidin-2-one?
3-[(6-tert-butyl-3-pyridinyl)-methylamino]-6-methylidenepiperidin-2-one has a molecular weight of 273.38 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-tert-butyl-3-pyridinyl)-methylamino]-6-methylidenepiperidin-2-one is sourced from PubChem (CID 157299388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).