1-ethyl-3-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidine-1-carbonyl]-6-methylpyridin-2-one

C19H30N2O3 — CID 56754190

IUPAC1-ethyl-3-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidine-1-carbonyl]-6-methylpyridin-2-one
SMILESCCn1c(C)ccc(C(=O)N2CC[C@@](C)(O)[C@@H](CC(C)C)C2)c1=O
InChIInChI=1S/C19H30N2O3/c1-6-21-14(4)7-8-16(18(21)23)17(22)20-10-9-19(5,24)15(12-20)11-13(2)3/h7-8,13,15,24H,6,9-12H2,1-5H3/t15-,19+/m0/s1
InChIKeyIFLDVZDIJXFYAG-HNAYVOBHSA-N
MW334.46 g/mol
LogP2.44
Rot. Bonds4

About 1-ethyl-3-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidine-1-carbonyl]-6-methylpyridin-2-one

1-ethyl-3-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidine-1-carbonyl]-6-methylpyridin-2-one (PubChem CID 56754190) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-ethyl-3-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidine-1-carbonyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidine-1-carbonyl]-6-methylpyridin-2-one
PubChem CID56754190
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name1-ethyl-3-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidine-1-carbonyl]-6-methylpyridin-2-one
SMILESCCn1c(C)ccc(C(=O)N2CC[C@@](C)(O)[C@@H](CC(C)C)C2)c1=O
InChIInChI=1S/C19H30N2O3/c1-6-21-14(4)7-8-16(18(21)23)17(22)20-10-9-19(5,24)15(12-20)11-13(2)3/h7-8,13,15,24H,6,9-12H2,1-5H3/t15-,19+/m0/s1
InChIKeyIFLDVZDIJXFYAG-HNAYVOBHSA-N
XLogP2.44
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidine-1-carbonyl]-6-methylpyridin-2-one?
The IUPAC name of 1-ethyl-3-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidine-1-carbonyl]-6-methylpyridin-2-one (CID 56754190) is 1-ethyl-3-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidine-1-carbonyl]-6-methylpyridin-2-one.
What is the SMILES notation for 1-ethyl-3-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidine-1-carbonyl]-6-methylpyridin-2-one?
The canonical SMILES for 1-ethyl-3-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidine-1-carbonyl]-6-methylpyridin-2-one is CCn1c(C)ccc(C(=O)N2CC[C@@](C)(O)[C@@H](CC(C)C)C2)c1=O.
What is the InChIKey of 1-ethyl-3-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidine-1-carbonyl]-6-methylpyridin-2-one?
The InChIKey is IFLDVZDIJXFYAG-HNAYVOBHSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-6-21-14(4)7-8-16(18(21)23)17(22)20-10-9-19(5,24)15(12-20)11-13(2)3/h7-8,13,15,24H,6,9-12H2,1-5H3/t15-,19+/m0/s1.
What are the key properties of 1-ethyl-3-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidine-1-carbonyl]-6-methylpyridin-2-one?
1-ethyl-3-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidine-1-carbonyl]-6-methylpyridin-2-one has a molecular weight of 334.46 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidine-1-carbonyl]-6-methylpyridin-2-one is sourced from PubChem (CID 56754190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).