3-(2-ethylpiperidine-1-carbonyl)-1,4,6-trimethylpyridin-2-one

C16H24N2O2 — CID 110855975

IUPAC3-(2-ethylpiperidine-1-carbonyl)-1,4,6-trimethylpyridin-2-one
SMILESCCC1CCCCN1C(=O)c1c(C)cc(C)n(C)c1=O
InChIInChI=1S/C16H24N2O2/c1-5-13-8-6-7-9-18(13)16(20)14-11(2)10-12(3)17(4)15(14)19/h10,13H,5-9H2,1-4H3
InChIKeyMCNXKKTUAFUWON-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.41
Rot. Bonds2

About 3-(2-ethylpiperidine-1-carbonyl)-1,4,6-trimethylpyridin-2-one

3-(2-ethylpiperidine-1-carbonyl)-1,4,6-trimethylpyridin-2-one (PubChem CID 110855975) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-(2-ethylpiperidine-1-carbonyl)-1,4,6-trimethylpyridin-2-one.

Molecular Properties

Compound Name3-(2-ethylpiperidine-1-carbonyl)-1,4,6-trimethylpyridin-2-one
PubChem CID110855975
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-(2-ethylpiperidine-1-carbonyl)-1,4,6-trimethylpyridin-2-one
SMILESCCC1CCCCN1C(=O)c1c(C)cc(C)n(C)c1=O
InChIInChI=1S/C16H24N2O2/c1-5-13-8-6-7-9-18(13)16(20)14-11(2)10-12(3)17(4)15(14)19/h10,13H,5-9H2,1-4H3
InChIKeyMCNXKKTUAFUWON-UHFFFAOYSA-N
XLogP2.41
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpiperidine-1-carbonyl)-1,4,6-trimethylpyridin-2-one?
The IUPAC name of 3-(2-ethylpiperidine-1-carbonyl)-1,4,6-trimethylpyridin-2-one (CID 110855975) is 3-(2-ethylpiperidine-1-carbonyl)-1,4,6-trimethylpyridin-2-one.
What is the SMILES notation for 3-(2-ethylpiperidine-1-carbonyl)-1,4,6-trimethylpyridin-2-one?
The canonical SMILES for 3-(2-ethylpiperidine-1-carbonyl)-1,4,6-trimethylpyridin-2-one is CCC1CCCCN1C(=O)c1c(C)cc(C)n(C)c1=O.
What is the InChIKey of 3-(2-ethylpiperidine-1-carbonyl)-1,4,6-trimethylpyridin-2-one?
The InChIKey is MCNXKKTUAFUWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-5-13-8-6-7-9-18(13)16(20)14-11(2)10-12(3)17(4)15(14)19/h10,13H,5-9H2,1-4H3.
What are the key properties of 3-(2-ethylpiperidine-1-carbonyl)-1,4,6-trimethylpyridin-2-one?
3-(2-ethylpiperidine-1-carbonyl)-1,4,6-trimethylpyridin-2-one has a molecular weight of 276.38 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylpiperidine-1-carbonyl)-1,4,6-trimethylpyridin-2-one is sourced from PubChem (CID 110855975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).