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

C16H24N2O4 — CID 56887491

IUPAC6-ethyl-3-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-1,5-dimethylpyridin-2-one
SMILESCCc1c(C)cc(C(=O)N2CC[C@H](CO)[C@@H](O)C2)c(=O)n1C
InChIInChI=1S/C16H24N2O4/c1-4-13-10(2)7-12(15(21)17(13)3)16(22)18-6-5-11(9-19)14(20)8-18/h7,11,14,19-20H,4-6,8-9H2,1-3H3/t11-,14+/m1/s1
InChIKeyNTEPRRICDCNBCP-RISCZKNCSA-N
MW308.38 g/mol
LogP0.07
Rot. Bonds3

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

6-ethyl-3-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-1,5-dimethylpyridin-2-one (PubChem CID 56887491) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 6-ethyl-3-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-1,5-dimethylpyridin-2-one.

Molecular Properties

Compound Name6-ethyl-3-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-1,5-dimethylpyridin-2-one
PubChem CID56887491
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name6-ethyl-3-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-1,5-dimethylpyridin-2-one
SMILESCCc1c(C)cc(C(=O)N2CC[C@H](CO)[C@@H](O)C2)c(=O)n1C
InChIInChI=1S/C16H24N2O4/c1-4-13-10(2)7-12(15(21)17(13)3)16(22)18-6-5-11(9-19)14(20)8-18/h7,11,14,19-20H,4-6,8-9H2,1-3H3/t11-,14+/m1/s1
InChIKeyNTEPRRICDCNBCP-RISCZKNCSA-N
XLogP0.07
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 ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-1,5-dimethylpyridin-2-one?
The IUPAC name of 6-ethyl-3-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-1,5-dimethylpyridin-2-one (CID 56887491) is 6-ethyl-3-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-1,5-dimethylpyridin-2-one.
What is the SMILES notation for 6-ethyl-3-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-1,5-dimethylpyridin-2-one?
The canonical SMILES for 6-ethyl-3-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-1,5-dimethylpyridin-2-one is CCc1c(C)cc(C(=O)N2CC[C@H](CO)[C@@H](O)C2)c(=O)n1C.
What is the InChIKey of 6-ethyl-3-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-1,5-dimethylpyridin-2-one?
The InChIKey is NTEPRRICDCNBCP-RISCZKNCSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-4-13-10(2)7-12(15(21)17(13)3)16(22)18-6-5-11(9-19)14(20)8-18/h7,11,14,19-20H,4-6,8-9H2,1-3H3/t11-,14+/m1/s1.
What are the key properties of 6-ethyl-3-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-1,5-dimethylpyridin-2-one?
6-ethyl-3-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-1,5-dimethylpyridin-2-one has a molecular weight of 308.38 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-1,5-dimethylpyridin-2-one is sourced from PubChem (CID 56887491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).