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

C18H28N2O3 — CID 133129133

IUPAC6-ethyl-3-[(3R,4S)-3-ethyl-4-hydroxy-4-methylpiperidine-1-carbonyl]-1,5-dimethylpyridin-2-one
SMILESCCc1c(C)cc(C(=O)N2CC[C@](C)(O)[C@H](CC)C2)c(=O)n1C
InChIInChI=1S/C18H28N2O3/c1-6-13-11-20(9-8-18(13,4)23)17(22)14-10-12(3)15(7-2)19(5)16(14)21/h10,13,23H,6-9,11H2,1-5H3/t13-,18+/m1/s1
InChIKeyGUUVIVILJDUKNM-ACJLOTCBSA-N
MW320.43 g/mol
LogP1.88
Rot. Bonds3

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

6-ethyl-3-[(3R,4S)-3-ethyl-4-hydroxy-4-methylpiperidine-1-carbonyl]-1,5-dimethylpyridin-2-one (PubChem CID 133129133) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 6-ethyl-3-[(3R,4S)-3-ethyl-4-hydroxy-4-methylpiperidine-1-carbonyl]-1,5-dimethylpyridin-2-one.

Molecular Properties

Compound Name6-ethyl-3-[(3R,4S)-3-ethyl-4-hydroxy-4-methylpiperidine-1-carbonyl]-1,5-dimethylpyridin-2-one
PubChem CID133129133
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name6-ethyl-3-[(3R,4S)-3-ethyl-4-hydroxy-4-methylpiperidine-1-carbonyl]-1,5-dimethylpyridin-2-one
SMILESCCc1c(C)cc(C(=O)N2CC[C@](C)(O)[C@H](CC)C2)c(=O)n1C
InChIInChI=1S/C18H28N2O3/c1-6-13-11-20(9-8-18(13,4)23)17(22)14-10-12(3)15(7-2)19(5)16(14)21/h10,13,23H,6-9,11H2,1-5H3/t13-,18+/m1/s1
InChIKeyGUUVIVILJDUKNM-ACJLOTCBSA-N
XLogP1.88
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-[(3R,4S)-3-ethyl-4-hydroxy-4-methylpiperidine-1-carbonyl]-1,5-dimethylpyridin-2-one?
The IUPAC name of 6-ethyl-3-[(3R,4S)-3-ethyl-4-hydroxy-4-methylpiperidine-1-carbonyl]-1,5-dimethylpyridin-2-one (CID 133129133) is 6-ethyl-3-[(3R,4S)-3-ethyl-4-hydroxy-4-methylpiperidine-1-carbonyl]-1,5-dimethylpyridin-2-one.
What is the SMILES notation for 6-ethyl-3-[(3R,4S)-3-ethyl-4-hydroxy-4-methylpiperidine-1-carbonyl]-1,5-dimethylpyridin-2-one?
The canonical SMILES for 6-ethyl-3-[(3R,4S)-3-ethyl-4-hydroxy-4-methylpiperidine-1-carbonyl]-1,5-dimethylpyridin-2-one is CCc1c(C)cc(C(=O)N2CC[C@](C)(O)[C@H](CC)C2)c(=O)n1C.
What is the InChIKey of 6-ethyl-3-[(3R,4S)-3-ethyl-4-hydroxy-4-methylpiperidine-1-carbonyl]-1,5-dimethylpyridin-2-one?
The InChIKey is GUUVIVILJDUKNM-ACJLOTCBSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-6-13-11-20(9-8-18(13,4)23)17(22)14-10-12(3)15(7-2)19(5)16(14)21/h10,13,23H,6-9,11H2,1-5H3/t13-,18+/m1/s1.
What are the key properties of 6-ethyl-3-[(3R,4S)-3-ethyl-4-hydroxy-4-methylpiperidine-1-carbonyl]-1,5-dimethylpyridin-2-one?
6-ethyl-3-[(3R,4S)-3-ethyl-4-hydroxy-4-methylpiperidine-1-carbonyl]-1,5-dimethylpyridin-2-one has a molecular weight of 320.43 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-[(3R,4S)-3-ethyl-4-hydroxy-4-methylpiperidine-1-carbonyl]-1,5-dimethylpyridin-2-one is sourced from PubChem (CID 133129133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).