1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-one

C11H18N2O3 — CID 43416027

IUPAC1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-one
SMILESO=C(CN1CCCC1=O)N1CCC(O)CC1
InChIInChI=1S/C11H18N2O3/c14-9-3-6-12(7-4-9)11(16)8-13-5-1-2-10(13)15/h9,14H,1-8H2
InChIKeyWAHJDBDQVGSVJE-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.41
Rot. Bonds2

About 1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-one

1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-one (PubChem CID 43416027) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-one
PubChem CID43416027
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-one
SMILESO=C(CN1CCCC1=O)N1CCC(O)CC1
InChIInChI=1S/C11H18N2O3/c14-9-3-6-12(7-4-9)11(16)8-13-5-1-2-10(13)15/h9,14H,1-8H2
InChIKeyWAHJDBDQVGSVJE-UHFFFAOYSA-N
XLogP-0.41
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-one (CID 43416027) is 1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-one is O=C(CN1CCCC1=O)N1CCC(O)CC1.
What is the InChIKey of 1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-one?
The InChIKey is WAHJDBDQVGSVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c14-9-3-6-12(7-4-9)11(16)8-13-5-1-2-10(13)15/h9,14H,1-8H2.
What are the key properties of 1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-one?
1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-one has a molecular weight of 226.28 g/mol, XLogP of -0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-one is sourced from PubChem (CID 43416027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).