1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-5-hydroxy-3-methylpyrrolidin-2-one

C16H28N2O3 — CID 138750826

IUPAC1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-5-hydroxy-3-methylpyrrolidin-2-one
SMILESCC(=O)N1C(C)(C)CC(N2C(=O)C(C)CC2O)CC1(C)C
InChIInChI=1S/C16H28N2O3/c1-10-7-13(20)17(14(10)21)12-8-15(3,4)18(11(2)19)16(5,6)9-12/h10,12-13,20H,7-9H2,1-6H3
InChIKeyWPBDSQDFCPVARQ-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.74
Rot. Bonds1

About 1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-5-hydroxy-3-methylpyrrolidin-2-one

1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-5-hydroxy-3-methylpyrrolidin-2-one (PubChem CID 138750826) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-5-hydroxy-3-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-5-hydroxy-3-methylpyrrolidin-2-one
PubChem CID138750826
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-5-hydroxy-3-methylpyrrolidin-2-one
SMILESCC(=O)N1C(C)(C)CC(N2C(=O)C(C)CC2O)CC1(C)C
InChIInChI=1S/C16H28N2O3/c1-10-7-13(20)17(14(10)21)12-8-15(3,4)18(11(2)19)16(5,6)9-12/h10,12-13,20H,7-9H2,1-6H3
InChIKeyWPBDSQDFCPVARQ-UHFFFAOYSA-N
XLogP1.74
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-5-hydroxy-3-methylpyrrolidin-2-one?
The IUPAC name of 1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-5-hydroxy-3-methylpyrrolidin-2-one (CID 138750826) is 1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-5-hydroxy-3-methylpyrrolidin-2-one.
What is the SMILES notation for 1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-5-hydroxy-3-methylpyrrolidin-2-one?
The canonical SMILES for 1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-5-hydroxy-3-methylpyrrolidin-2-one is CC(=O)N1C(C)(C)CC(N2C(=O)C(C)CC2O)CC1(C)C.
What is the InChIKey of 1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-5-hydroxy-3-methylpyrrolidin-2-one?
The InChIKey is WPBDSQDFCPVARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-10-7-13(20)17(14(10)21)12-8-15(3,4)18(11(2)19)16(5,6)9-12/h10,12-13,20H,7-9H2,1-6H3.
What are the key properties of 1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-5-hydroxy-3-methylpyrrolidin-2-one?
1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-5-hydroxy-3-methylpyrrolidin-2-one has a molecular weight of 296.41 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-5-hydroxy-3-methylpyrrolidin-2-one is sourced from PubChem (CID 138750826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).