1-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-one

C12H20N2O3 — CID 115875098

IUPAC1-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-one
SMILESCC1(O)CCCN(C(=O)CN2CCCC2=O)C1
InChIInChI=1S/C12H20N2O3/c1-12(17)5-3-7-14(9-12)11(16)8-13-6-2-4-10(13)15/h17H,2-9H2,1H3
InChIKeyKUCMKXYTKCAVFT-UHFFFAOYSA-N
MW240.30 g/mol
LogP-0.02
Rot. Bonds2

About 1-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-one

1-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-one (PubChem CID 115875098) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-one
PubChem CID115875098
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-one
SMILESCC1(O)CCCN(C(=O)CN2CCCC2=O)C1
InChIInChI=1S/C12H20N2O3/c1-12(17)5-3-7-14(9-12)11(16)8-13-6-2-4-10(13)15/h17H,2-9H2,1H3
InChIKeyKUCMKXYTKCAVFT-UHFFFAOYSA-N
XLogP-0.02
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-one (CID 115875098) is 1-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-one is CC1(O)CCCN(C(=O)CN2CCCC2=O)C1.
What is the InChIKey of 1-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-one?
The InChIKey is KUCMKXYTKCAVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-12(17)5-3-7-14(9-12)11(16)8-13-6-2-4-10(13)15/h17H,2-9H2,1H3.
What are the key properties of 1-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-one?
1-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-one has a molecular weight of 240.30 g/mol, XLogP of -0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-one is sourced from PubChem (CID 115875098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).