1-(5-methyl-1H-indazol-6-yl)piperidin-2-one

C13H15N3O — CID 126486072

IUPAC1-(5-methyl-1H-indazol-6-yl)piperidin-2-one
SMILESCc1cc2cn[nH]c2cc1N1CCCCC1=O
InChIInChI=1S/C13H15N3O/c1-9-6-10-8-14-15-11(10)7-12(9)16-5-3-2-4-13(16)17/h6-8H,2-5H2,1H3,(H,14,15)
InChIKeyOBOOOOGPXSNCBX-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.39
Rot. Bonds1

About 1-(5-methyl-1H-indazol-6-yl)piperidin-2-one

1-(5-methyl-1H-indazol-6-yl)piperidin-2-one (PubChem CID 126486072) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(5-methyl-1H-indazol-6-yl)piperidin-2-one.

Molecular Properties

Compound Name1-(5-methyl-1H-indazol-6-yl)piperidin-2-one
PubChem CID126486072
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1-(5-methyl-1H-indazol-6-yl)piperidin-2-one
SMILESCc1cc2cn[nH]c2cc1N1CCCCC1=O
InChIInChI=1S/C13H15N3O/c1-9-6-10-8-14-15-11(10)7-12(9)16-5-3-2-4-13(16)17/h6-8H,2-5H2,1H3,(H,14,15)
InChIKeyOBOOOOGPXSNCBX-UHFFFAOYSA-N
XLogP2.39
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1H-indazol-6-yl)piperidin-2-one?
The IUPAC name of 1-(5-methyl-1H-indazol-6-yl)piperidin-2-one (CID 126486072) is 1-(5-methyl-1H-indazol-6-yl)piperidin-2-one.
What is the SMILES notation for 1-(5-methyl-1H-indazol-6-yl)piperidin-2-one?
The canonical SMILES for 1-(5-methyl-1H-indazol-6-yl)piperidin-2-one is Cc1cc2cn[nH]c2cc1N1CCCCC1=O.
What is the InChIKey of 1-(5-methyl-1H-indazol-6-yl)piperidin-2-one?
The InChIKey is OBOOOOGPXSNCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-6-10-8-14-15-11(10)7-12(9)16-5-3-2-4-13(16)17/h6-8H,2-5H2,1H3,(H,14,15).
What are the key properties of 1-(5-methyl-1H-indazol-6-yl)piperidin-2-one?
1-(5-methyl-1H-indazol-6-yl)piperidin-2-one has a molecular weight of 229.28 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1H-indazol-6-yl)piperidin-2-one is sourced from PubChem (CID 126486072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).