3-(6-tert-butyl-3-pyridinyl)-6-methylidenepiperidin-2-one

C15H20N2O — CID 170129166

IUPAC3-(6-tert-butyl-3-pyridinyl)-6-methylidenepiperidin-2-one
SMILESC=C1CCC(c2ccc(C(C)(C)C)nc2)C(=O)N1
InChIInChI=1S/C15H20N2O/c1-10-5-7-12(14(18)17-10)11-6-8-13(16-9-11)15(2,3)4/h6,8-9,12H,1,5,7H2,2-4H3,(H,17,18)
InChIKeyXBVPCMXMEVOHQC-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.89
Rot. Bonds1

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

3-(6-tert-butyl-3-pyridinyl)-6-methylidenepiperidin-2-one (PubChem CID 170129166) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-(6-tert-butyl-3-pyridinyl)-6-methylidenepiperidin-2-one.

Molecular Properties

Compound Name3-(6-tert-butyl-3-pyridinyl)-6-methylidenepiperidin-2-one
PubChem CID170129166
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-(6-tert-butyl-3-pyridinyl)-6-methylidenepiperidin-2-one
SMILESC=C1CCC(c2ccc(C(C)(C)C)nc2)C(=O)N1
InChIInChI=1S/C15H20N2O/c1-10-5-7-12(14(18)17-10)11-6-8-13(16-9-11)15(2,3)4/h6,8-9,12H,1,5,7H2,2-4H3,(H,17,18)
InChIKeyXBVPCMXMEVOHQC-UHFFFAOYSA-N
XLogP2.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(6-tert-butyl-3-pyridinyl)-methylamino]-6-methylidenepiperidin-2-one
CID 157299388
3-(4-tert-butylphenyl)-5-methylidenepyrrolidin-2-one
CID 170079677
3-(4-tert-butyl-2-methylphenyl)-6-methylidenepiperidin-2-one
CID 170079675
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
5-(azetidin-3-yl)-2-tert-butylpyridine
CID 162745774
3-(6-amino-3-pyridinyl)piperidine-2,6-dione;hydrochloride
CID 166552755
3-(6-tert-butyl-2-methyl-3-pyridinyl)piperidine-2,6-dione
CID 170144934
3-(4-tert-butylpyrimidin-2-yl)piperidine-2,6-dione
CID 168842408
(3S)-3-(4-methylphenyl)piperidine-2,6-dione
CID 94766924
2-tert-butyl-5-(1-methylpiperidin-4-yl)pyridine
CID 122472514
3-[6-(azetidin-1-yl)-3-pyridinyl]piperidine-2,6-dione
CID 166113376

Frequently Asked Questions

What is the IUPAC name of 3-(6-tert-butyl-3-pyridinyl)-6-methylidenepiperidin-2-one?
The IUPAC name of 3-(6-tert-butyl-3-pyridinyl)-6-methylidenepiperidin-2-one (CID 170129166) is 3-(6-tert-butyl-3-pyridinyl)-6-methylidenepiperidin-2-one.
What is the SMILES notation for 3-(6-tert-butyl-3-pyridinyl)-6-methylidenepiperidin-2-one?
The canonical SMILES for 3-(6-tert-butyl-3-pyridinyl)-6-methylidenepiperidin-2-one is C=C1CCC(c2ccc(C(C)(C)C)nc2)C(=O)N1.
What is the InChIKey of 3-(6-tert-butyl-3-pyridinyl)-6-methylidenepiperidin-2-one?
The InChIKey is XBVPCMXMEVOHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10-5-7-12(14(18)17-10)11-6-8-13(16-9-11)15(2,3)4/h6,8-9,12H,1,5,7H2,2-4H3,(H,17,18).
What are the key properties of 3-(6-tert-butyl-3-pyridinyl)-6-methylidenepiperidin-2-one?
3-(6-tert-butyl-3-pyridinyl)-6-methylidenepiperidin-2-one has a molecular weight of 244.34 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-tert-butyl-3-pyridinyl)-6-methylidenepiperidin-2-one is sourced from PubChem (CID 170129166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).