3-(3-methoxy-4-methylpiperidin-1-yl)cyclopent-2-en-1-one

C12H19NO2 — CID 102958806

IUPAC3-(3-methoxy-4-methylpiperidin-1-yl)cyclopent-2-en-1-one
SMILESCOC1CN(C2=CC(=O)CC2)CCC1C
InChIInChI=1S/C12H19NO2/c1-9-5-6-13(8-12(9)15-2)10-3-4-11(14)7-10/h7,9,12H,3-6,8H2,1-2H3
InChIKeyREVAAYKSJAPEMD-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.59
Rot. Bonds2

About 3-(3-methoxy-4-methylpiperidin-1-yl)cyclopent-2-en-1-one

3-(3-methoxy-4-methylpiperidin-1-yl)cyclopent-2-en-1-one (PubChem CID 102958806) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-(3-methoxy-4-methylpiperidin-1-yl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(3-methoxy-4-methylpiperidin-1-yl)cyclopent-2-en-1-one
PubChem CID102958806
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3-(3-methoxy-4-methylpiperidin-1-yl)cyclopent-2-en-1-one
SMILESCOC1CN(C2=CC(=O)CC2)CCC1C
InChIInChI=1S/C12H19NO2/c1-9-5-6-13(8-12(9)15-2)10-3-4-11(14)7-10/h7,9,12H,3-6,8H2,1-2H3
InChIKeyREVAAYKSJAPEMD-UHFFFAOYSA-N
XLogP1.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-4-methylpiperidin-1-yl)cyclopent-2-en-1-one?
The IUPAC name of 3-(3-methoxy-4-methylpiperidin-1-yl)cyclopent-2-en-1-one (CID 102958806) is 3-(3-methoxy-4-methylpiperidin-1-yl)cyclopent-2-en-1-one.
What is the SMILES notation for 3-(3-methoxy-4-methylpiperidin-1-yl)cyclopent-2-en-1-one?
The canonical SMILES for 3-(3-methoxy-4-methylpiperidin-1-yl)cyclopent-2-en-1-one is COC1CN(C2=CC(=O)CC2)CCC1C.
What is the InChIKey of 3-(3-methoxy-4-methylpiperidin-1-yl)cyclopent-2-en-1-one?
The InChIKey is REVAAYKSJAPEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-9-5-6-13(8-12(9)15-2)10-3-4-11(14)7-10/h7,9,12H,3-6,8H2,1-2H3.
What are the key properties of 3-(3-methoxy-4-methylpiperidin-1-yl)cyclopent-2-en-1-one?
3-(3-methoxy-4-methylpiperidin-1-yl)cyclopent-2-en-1-one has a molecular weight of 209.29 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-4-methylpiperidin-1-yl)cyclopent-2-en-1-one is sourced from PubChem (CID 102958806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).