6-ethyl-3-[4-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-1,5-dimethylpyridin-2-one

C16H24N2O4 — CID 56759216

IUPAC6-ethyl-3-[4-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-1,5-dimethylpyridin-2-one
SMILESCCc1c(C)cc(C(=O)N2CCC(O)(CO)CC2)c(=O)n1C
InChIInChI=1S/C16H24N2O4/c1-4-13-11(2)9-12(14(20)17(13)3)15(21)18-7-5-16(22,10-19)6-8-18/h9,19,22H,4-8,10H2,1-3H3
InChIKeyAJEAFKBCSNEQRA-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.22
Rot. Bonds3

About 6-ethyl-3-[4-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-1,5-dimethylpyridin-2-one

6-ethyl-3-[4-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-1,5-dimethylpyridin-2-one (PubChem CID 56759216) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 6-ethyl-3-[4-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-1,5-dimethylpyridin-2-one.

Molecular Properties

Compound Name6-ethyl-3-[4-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-1,5-dimethylpyridin-2-one
PubChem CID56759216
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name6-ethyl-3-[4-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-1,5-dimethylpyridin-2-one
SMILESCCc1c(C)cc(C(=O)N2CCC(O)(CO)CC2)c(=O)n1C
InChIInChI=1S/C16H24N2O4/c1-4-13-11(2)9-12(14(20)17(13)3)15(21)18-7-5-16(22,10-19)6-8-18/h9,19,22H,4-8,10H2,1-3H3
InChIKeyAJEAFKBCSNEQRA-UHFFFAOYSA-N
XLogP0.22
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-[4-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-1,5-dimethylpyridin-2-one?
The IUPAC name of 6-ethyl-3-[4-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-1,5-dimethylpyridin-2-one (CID 56759216) is 6-ethyl-3-[4-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-1,5-dimethylpyridin-2-one.
What is the SMILES notation for 6-ethyl-3-[4-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-1,5-dimethylpyridin-2-one?
The canonical SMILES for 6-ethyl-3-[4-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-1,5-dimethylpyridin-2-one is CCc1c(C)cc(C(=O)N2CCC(O)(CO)CC2)c(=O)n1C.
What is the InChIKey of 6-ethyl-3-[4-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-1,5-dimethylpyridin-2-one?
The InChIKey is AJEAFKBCSNEQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-4-13-11(2)9-12(14(20)17(13)3)15(21)18-7-5-16(22,10-19)6-8-18/h9,19,22H,4-8,10H2,1-3H3.
What are the key properties of 6-ethyl-3-[4-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-1,5-dimethylpyridin-2-one?
6-ethyl-3-[4-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-1,5-dimethylpyridin-2-one has a molecular weight of 308.38 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-[4-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-1,5-dimethylpyridin-2-one is sourced from PubChem (CID 56759216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).