2-hydroxy-4-methyl-1-(piperidin-4-ylmethyl)-2H-pyrrol-5-one

C11H18N2O2 — CID 134423952

IUPAC2-hydroxy-4-methyl-1-(piperidin-4-ylmethyl)-2H-pyrrol-5-one
SMILESCC1=CC(O)N(CC2CCNCC2)C1=O
InChIInChI=1S/C11H18N2O2/c1-8-6-10(14)13(11(8)15)7-9-2-4-12-5-3-9/h6,9-10,12,14H,2-5,7H2,1H3
InChIKeyUOLHKLUJZVQSQE-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.09
Rot. Bonds2

About 2-hydroxy-4-methyl-1-(piperidin-4-ylmethyl)-2H-pyrrol-5-one

2-hydroxy-4-methyl-1-(piperidin-4-ylmethyl)-2H-pyrrol-5-one (PubChem CID 134423952) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-1-(piperidin-4-ylmethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-hydroxy-4-methyl-1-(piperidin-4-ylmethyl)-2H-pyrrol-5-one
PubChem CID134423952
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-hydroxy-4-methyl-1-(piperidin-4-ylmethyl)-2H-pyrrol-5-one
SMILESCC1=CC(O)N(CC2CCNCC2)C1=O
InChIInChI=1S/C11H18N2O2/c1-8-6-10(14)13(11(8)15)7-9-2-4-12-5-3-9/h6,9-10,12,14H,2-5,7H2,1H3
InChIKeyUOLHKLUJZVQSQE-UHFFFAOYSA-N
XLogP0.09
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methyl-1-(piperidin-4-ylmethyl)-2H-pyrrol-5-one?
The IUPAC name of 2-hydroxy-4-methyl-1-(piperidin-4-ylmethyl)-2H-pyrrol-5-one (CID 134423952) is 2-hydroxy-4-methyl-1-(piperidin-4-ylmethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-hydroxy-4-methyl-1-(piperidin-4-ylmethyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-hydroxy-4-methyl-1-(piperidin-4-ylmethyl)-2H-pyrrol-5-one is CC1=CC(O)N(CC2CCNCC2)C1=O.
What is the InChIKey of 2-hydroxy-4-methyl-1-(piperidin-4-ylmethyl)-2H-pyrrol-5-one?
The InChIKey is UOLHKLUJZVQSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8-6-10(14)13(11(8)15)7-9-2-4-12-5-3-9/h6,9-10,12,14H,2-5,7H2,1H3.
What are the key properties of 2-hydroxy-4-methyl-1-(piperidin-4-ylmethyl)-2H-pyrrol-5-one?
2-hydroxy-4-methyl-1-(piperidin-4-ylmethyl)-2H-pyrrol-5-one has a molecular weight of 210.28 g/mol, XLogP of 0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methyl-1-(piperidin-4-ylmethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 134423952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).