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

C16H24N2O4 — CID 56885996

IUPAC1-ethyl-3-[3-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]-4,6-dimethylpyridin-2-one
SMILESCCn1c(C)cc(C)c(C(=O)N2CCCC(O)(CO)C2)c1=O
InChIInChI=1S/C16H24N2O4/c1-4-18-12(3)8-11(2)13(15(18)21)14(20)17-7-5-6-16(22,9-17)10-19/h8,19,22H,4-7,9-10H2,1-3H3
InChIKeyMNIVOYHCJXSUAD-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.44
Rot. Bonds3

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

1-ethyl-3-[3-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]-4,6-dimethylpyridin-2-one (PubChem CID 56885996) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-ethyl-3-[3-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]-4,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[3-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]-4,6-dimethylpyridin-2-one
PubChem CID56885996
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name1-ethyl-3-[3-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]-4,6-dimethylpyridin-2-one
SMILESCCn1c(C)cc(C)c(C(=O)N2CCCC(O)(CO)C2)c1=O
InChIInChI=1S/C16H24N2O4/c1-4-18-12(3)8-11(2)13(15(18)21)14(20)17-7-5-6-16(22,9-17)10-19/h8,19,22H,4-7,9-10H2,1-3H3
InChIKeyMNIVOYHCJXSUAD-UHFFFAOYSA-N
XLogP0.44
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 ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]-4,6-dimethylpyridin-2-one?
The IUPAC name of 1-ethyl-3-[3-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]-4,6-dimethylpyridin-2-one (CID 56885996) is 1-ethyl-3-[3-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]-4,6-dimethylpyridin-2-one.
What is the SMILES notation for 1-ethyl-3-[3-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]-4,6-dimethylpyridin-2-one?
The canonical SMILES for 1-ethyl-3-[3-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]-4,6-dimethylpyridin-2-one is CCn1c(C)cc(C)c(C(=O)N2CCCC(O)(CO)C2)c1=O.
What is the InChIKey of 1-ethyl-3-[3-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]-4,6-dimethylpyridin-2-one?
The InChIKey is MNIVOYHCJXSUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-4-18-12(3)8-11(2)13(15(18)21)14(20)17-7-5-6-16(22,9-17)10-19/h8,19,22H,4-7,9-10H2,1-3H3.
What are the key properties of 1-ethyl-3-[3-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]-4,6-dimethylpyridin-2-one?
1-ethyl-3-[3-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]-4,6-dimethylpyridin-2-one has a molecular weight of 308.38 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]-4,6-dimethylpyridin-2-one is sourced from PubChem (CID 56885996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).