1-piperidin-4-yl-2H-indazol-3-one

C12H15N3O — CID 84682978

IUPAC1-piperidin-4-yl-2H-indazol-3-one
SMILESO=c1[nH]n(C2CCNCC2)c2ccccc12
InChIInChI=1S/C12H15N3O/c16-12-10-3-1-2-4-11(10)15(14-12)9-5-7-13-8-6-9/h1-4,9,13H,5-8H2,(H,14,16)
InChIKeyBTXLRMYOIOUXNB-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.25
Rot. Bonds1

About 1-piperidin-4-yl-2H-indazol-3-one

1-piperidin-4-yl-2H-indazol-3-one (PubChem CID 84682978) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-piperidin-4-yl-2H-indazol-3-one.

Molecular Properties

Compound Name1-piperidin-4-yl-2H-indazol-3-one
PubChem CID84682978
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1-piperidin-4-yl-2H-indazol-3-one
SMILESO=c1[nH]n(C2CCNCC2)c2ccccc12
InChIInChI=1S/C12H15N3O/c16-12-10-3-1-2-4-11(10)15(14-12)9-5-7-13-8-6-9/h1-4,9,13H,5-8H2,(H,14,16)
InChIKeyBTXLRMYOIOUXNB-UHFFFAOYSA-N
XLogP1.25
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-2H-indazol-3-one?
The IUPAC name of 1-piperidin-4-yl-2H-indazol-3-one (CID 84682978) is 1-piperidin-4-yl-2H-indazol-3-one.
What is the SMILES notation for 1-piperidin-4-yl-2H-indazol-3-one?
The canonical SMILES for 1-piperidin-4-yl-2H-indazol-3-one is O=c1[nH]n(C2CCNCC2)c2ccccc12.
What is the InChIKey of 1-piperidin-4-yl-2H-indazol-3-one?
The InChIKey is BTXLRMYOIOUXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c16-12-10-3-1-2-4-11(10)15(14-12)9-5-7-13-8-6-9/h1-4,9,13H,5-8H2,(H,14,16).
What are the key properties of 1-piperidin-4-yl-2H-indazol-3-one?
1-piperidin-4-yl-2H-indazol-3-one has a molecular weight of 217.27 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-2H-indazol-3-one is sourced from PubChem (CID 84682978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).