1-(1-acetylpiperidin-4-yl)-7-oxo-5,6-dihydro-4H-indazole-3-carboxylic acid

C15H19N3O4 — CID 141106341

IUPAC1-(1-acetylpiperidin-4-yl)-7-oxo-5,6-dihydro-4H-indazole-3-carboxylic acid
SMILESCC(=O)N1CCC(n2nc(C(=O)O)c3c2C(=O)CCC3)CC1
InChIInChI=1S/C15H19N3O4/c1-9(19)17-7-5-10(6-8-17)18-14-11(3-2-4-12(14)20)13(16-18)15(21)22/h10H,2-8H2,1H3,(H,21,22)
InChIKeyNDMDBENFBHPCNS-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.28
Rot. Bonds2

About 1-(1-acetylpiperidin-4-yl)-7-oxo-5,6-dihydro-4H-indazole-3-carboxylic acid

1-(1-acetylpiperidin-4-yl)-7-oxo-5,6-dihydro-4H-indazole-3-carboxylic acid (PubChem CID 141106341) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-7-oxo-5,6-dihydro-4H-indazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-7-oxo-5,6-dihydro-4H-indazole-3-carboxylic acid
PubChem CID141106341
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name1-(1-acetylpiperidin-4-yl)-7-oxo-5,6-dihydro-4H-indazole-3-carboxylic acid
SMILESCC(=O)N1CCC(n2nc(C(=O)O)c3c2C(=O)CCC3)CC1
InChIInChI=1S/C15H19N3O4/c1-9(19)17-7-5-10(6-8-17)18-14-11(3-2-4-12(14)20)13(16-18)15(21)22/h10H,2-8H2,1H3,(H,21,22)
InChIKeyNDMDBENFBHPCNS-UHFFFAOYSA-N
XLogP1.28
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-7-oxo-5,6-dihydro-4H-indazole-3-carboxylic acid?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-7-oxo-5,6-dihydro-4H-indazole-3-carboxylic acid (CID 141106341) is 1-(1-acetylpiperidin-4-yl)-7-oxo-5,6-dihydro-4H-indazole-3-carboxylic acid.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-7-oxo-5,6-dihydro-4H-indazole-3-carboxylic acid?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-7-oxo-5,6-dihydro-4H-indazole-3-carboxylic acid is CC(=O)N1CCC(n2nc(C(=O)O)c3c2C(=O)CCC3)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-7-oxo-5,6-dihydro-4H-indazole-3-carboxylic acid?
The InChIKey is NDMDBENFBHPCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-9(19)17-7-5-10(6-8-17)18-14-11(3-2-4-12(14)20)13(16-18)15(21)22/h10H,2-8H2,1H3,(H,21,22).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-7-oxo-5,6-dihydro-4H-indazole-3-carboxylic acid?
1-(1-acetylpiperidin-4-yl)-7-oxo-5,6-dihydro-4H-indazole-3-carboxylic acid has a molecular weight of 305.33 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-7-oxo-5,6-dihydro-4H-indazole-3-carboxylic acid is sourced from PubChem (CID 141106341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).