1-(5-chloro-1H-indazol-6-yl)piperidin-4-one

C12H12ClN3O — CID 126485808

IUPAC1-(5-chloro-1H-indazol-6-yl)piperidin-4-one
SMILESO=C1CCN(c2cc3[nH]ncc3cc2Cl)CC1
InChIInChI=1S/C12H12ClN3O/c13-10-5-8-7-14-15-11(8)6-12(10)16-3-1-9(17)2-4-16/h5-7H,1-4H2,(H,14,15)
InChIKeyMAZIVYMQGOUJJQ-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.39
Rot. Bonds1

About 1-(5-chloro-1H-indazol-6-yl)piperidin-4-one

1-(5-chloro-1H-indazol-6-yl)piperidin-4-one (PubChem CID 126485808) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 1-(5-chloro-1H-indazol-6-yl)piperidin-4-one.

Molecular Properties

Compound Name1-(5-chloro-1H-indazol-6-yl)piperidin-4-one
PubChem CID126485808
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name1-(5-chloro-1H-indazol-6-yl)piperidin-4-one
SMILESO=C1CCN(c2cc3[nH]ncc3cc2Cl)CC1
InChIInChI=1S/C12H12ClN3O/c13-10-5-8-7-14-15-11(8)6-12(10)16-3-1-9(17)2-4-16/h5-7H,1-4H2,(H,14,15)
InChIKeyMAZIVYMQGOUJJQ-UHFFFAOYSA-N
XLogP2.39
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1H-indazol-6-yl)piperidin-4-one?
The IUPAC name of 1-(5-chloro-1H-indazol-6-yl)piperidin-4-one (CID 126485808) is 1-(5-chloro-1H-indazol-6-yl)piperidin-4-one.
What is the SMILES notation for 1-(5-chloro-1H-indazol-6-yl)piperidin-4-one?
The canonical SMILES for 1-(5-chloro-1H-indazol-6-yl)piperidin-4-one is O=C1CCN(c2cc3[nH]ncc3cc2Cl)CC1.
What is the InChIKey of 1-(5-chloro-1H-indazol-6-yl)piperidin-4-one?
The InChIKey is MAZIVYMQGOUJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c13-10-5-8-7-14-15-11(8)6-12(10)16-3-1-9(17)2-4-16/h5-7H,1-4H2,(H,14,15).
What are the key properties of 1-(5-chloro-1H-indazol-6-yl)piperidin-4-one?
1-(5-chloro-1H-indazol-6-yl)piperidin-4-one has a molecular weight of 249.70 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1H-indazol-6-yl)piperidin-4-one is sourced from PubChem (CID 126485808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).