2-hydroxy-5-methoxy-5-methyl-3-piperidin-1-ylcyclopent-2-en-1-one

C12H19NO3 — CID 121002755

IUPAC2-hydroxy-5-methoxy-5-methyl-3-piperidin-1-ylcyclopent-2-en-1-one
SMILESCOC1(C)CC(N2CCCCC2)=C(O)C1=O
InChIInChI=1S/C12H19NO3/c1-12(16-2)8-9(10(14)11(12)15)13-6-4-3-5-7-13/h14H,3-8H2,1-2H3
InChIKeyIVJRZFAYTWNORM-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.62
Rot. Bonds2

About 2-hydroxy-5-methoxy-5-methyl-3-piperidin-1-ylcyclopent-2-en-1-one

2-hydroxy-5-methoxy-5-methyl-3-piperidin-1-ylcyclopent-2-en-1-one (PubChem CID 121002755) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-hydroxy-5-methoxy-5-methyl-3-piperidin-1-ylcyclopent-2-en-1-one.

Molecular Properties

Compound Name2-hydroxy-5-methoxy-5-methyl-3-piperidin-1-ylcyclopent-2-en-1-one
PubChem CID121002755
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-hydroxy-5-methoxy-5-methyl-3-piperidin-1-ylcyclopent-2-en-1-one
SMILESCOC1(C)CC(N2CCCCC2)=C(O)C1=O
InChIInChI=1S/C12H19NO3/c1-12(16-2)8-9(10(14)11(12)15)13-6-4-3-5-7-13/h14H,3-8H2,1-2H3
InChIKeyIVJRZFAYTWNORM-UHFFFAOYSA-N
XLogP1.62
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methoxy-5-methyl-3-piperidin-1-ylcyclopent-2-en-1-one?
The IUPAC name of 2-hydroxy-5-methoxy-5-methyl-3-piperidin-1-ylcyclopent-2-en-1-one (CID 121002755) is 2-hydroxy-5-methoxy-5-methyl-3-piperidin-1-ylcyclopent-2-en-1-one.
What is the SMILES notation for 2-hydroxy-5-methoxy-5-methyl-3-piperidin-1-ylcyclopent-2-en-1-one?
The canonical SMILES for 2-hydroxy-5-methoxy-5-methyl-3-piperidin-1-ylcyclopent-2-en-1-one is COC1(C)CC(N2CCCCC2)=C(O)C1=O.
What is the InChIKey of 2-hydroxy-5-methoxy-5-methyl-3-piperidin-1-ylcyclopent-2-en-1-one?
The InChIKey is IVJRZFAYTWNORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-12(16-2)8-9(10(14)11(12)15)13-6-4-3-5-7-13/h14H,3-8H2,1-2H3.
What are the key properties of 2-hydroxy-5-methoxy-5-methyl-3-piperidin-1-ylcyclopent-2-en-1-one?
2-hydroxy-5-methoxy-5-methyl-3-piperidin-1-ylcyclopent-2-en-1-one has a molecular weight of 225.29 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methoxy-5-methyl-3-piperidin-1-ylcyclopent-2-en-1-one is sourced from PubChem (CID 121002755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).