3-(4-methoxyindazol-1-yl)-6-methylidenepiperidin-2-one

C14H15N3O2 — CID 167296952

IUPAC3-(4-methoxyindazol-1-yl)-6-methylidenepiperidin-2-one
SMILESC=C1CCC(n2ncc3c(OC)cccc32)C(=O)N1
InChIInChI=1S/C14H15N3O2/c1-9-6-7-12(14(18)16-9)17-11-4-3-5-13(19-2)10(11)8-15-17/h3-5,8,12H,1,6-7H2,2H3,(H,16,18)
InChIKeyQGLASORGNPNDQT-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.01
Rot. Bonds2

About 3-(4-methoxyindazol-1-yl)-6-methylidenepiperidin-2-one

3-(4-methoxyindazol-1-yl)-6-methylidenepiperidin-2-one (PubChem CID 167296952) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-(4-methoxyindazol-1-yl)-6-methylidenepiperidin-2-one.

Molecular Properties

Compound Name3-(4-methoxyindazol-1-yl)-6-methylidenepiperidin-2-one
PubChem CID167296952
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name3-(4-methoxyindazol-1-yl)-6-methylidenepiperidin-2-one
SMILESC=C1CCC(n2ncc3c(OC)cccc32)C(=O)N1
InChIInChI=1S/C14H15N3O2/c1-9-6-7-12(14(18)16-9)17-11-4-3-5-13(19-2)10(11)8-15-17/h3-5,8,12H,1,6-7H2,2H3,(H,16,18)
InChIKeyQGLASORGNPNDQT-UHFFFAOYSA-N
XLogP2.01
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyindazol-1-yl)-6-methylidenepiperidin-2-one?
The IUPAC name of 3-(4-methoxyindazol-1-yl)-6-methylidenepiperidin-2-one (CID 167296952) is 3-(4-methoxyindazol-1-yl)-6-methylidenepiperidin-2-one.
What is the SMILES notation for 3-(4-methoxyindazol-1-yl)-6-methylidenepiperidin-2-one?
The canonical SMILES for 3-(4-methoxyindazol-1-yl)-6-methylidenepiperidin-2-one is C=C1CCC(n2ncc3c(OC)cccc32)C(=O)N1.
What is the InChIKey of 3-(4-methoxyindazol-1-yl)-6-methylidenepiperidin-2-one?
The InChIKey is QGLASORGNPNDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9-6-7-12(14(18)16-9)17-11-4-3-5-13(19-2)10(11)8-15-17/h3-5,8,12H,1,6-7H2,2H3,(H,16,18).
What are the key properties of 3-(4-methoxyindazol-1-yl)-6-methylidenepiperidin-2-one?
3-(4-methoxyindazol-1-yl)-6-methylidenepiperidin-2-one has a molecular weight of 257.29 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyindazol-1-yl)-6-methylidenepiperidin-2-one is sourced from PubChem (CID 167296952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).