2-(1-cyclohexylpiperidin-4-yl)-3-oxo-1H-indazole-4-carboxamide

C19H26N4O2 — CID 71239676

IUPAC2-(1-cyclohexylpiperidin-4-yl)-3-oxo-1H-indazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]n(C3CCN(C4CCCCC4)CC3)c(=O)c12
InChIInChI=1S/C19H26N4O2/c20-18(24)15-7-4-8-16-17(15)19(25)23(21-16)14-9-11-22(12-10-14)13-5-2-1-3-6-13/h4,7-8,13-14,21H,1-3,5-6,9-12H2,(H2,20,24)
InChIKeyXEWGITPSXRGTBO-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.40
Rot. Bonds3

About 2-(1-cyclohexylpiperidin-4-yl)-3-oxo-1H-indazole-4-carboxamide

2-(1-cyclohexylpiperidin-4-yl)-3-oxo-1H-indazole-4-carboxamide (PubChem CID 71239676) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-(1-cyclohexylpiperidin-4-yl)-3-oxo-1H-indazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-cyclohexylpiperidin-4-yl)-3-oxo-1H-indazole-4-carboxamide
PubChem CID71239676
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-(1-cyclohexylpiperidin-4-yl)-3-oxo-1H-indazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]n(C3CCN(C4CCCCC4)CC3)c(=O)c12
InChIInChI=1S/C19H26N4O2/c20-18(24)15-7-4-8-16-17(15)19(25)23(21-16)14-9-11-22(12-10-14)13-5-2-1-3-6-13/h4,7-8,13-14,21H,1-3,5-6,9-12H2,(H2,20,24)
InChIKeyXEWGITPSXRGTBO-UHFFFAOYSA-N
XLogP2.40
TPSA84.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylpiperidin-4-yl)-3-oxo-1H-indazole-4-carboxamide?
The IUPAC name of 2-(1-cyclohexylpiperidin-4-yl)-3-oxo-1H-indazole-4-carboxamide (CID 71239676) is 2-(1-cyclohexylpiperidin-4-yl)-3-oxo-1H-indazole-4-carboxamide.
What is the SMILES notation for 2-(1-cyclohexylpiperidin-4-yl)-3-oxo-1H-indazole-4-carboxamide?
The canonical SMILES for 2-(1-cyclohexylpiperidin-4-yl)-3-oxo-1H-indazole-4-carboxamide is NC(=O)c1cccc2[nH]n(C3CCN(C4CCCCC4)CC3)c(=O)c12.
What is the InChIKey of 2-(1-cyclohexylpiperidin-4-yl)-3-oxo-1H-indazole-4-carboxamide?
The InChIKey is XEWGITPSXRGTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c20-18(24)15-7-4-8-16-17(15)19(25)23(21-16)14-9-11-22(12-10-14)13-5-2-1-3-6-13/h4,7-8,13-14,21H,1-3,5-6,9-12H2,(H2,20,24).
What are the key properties of 2-(1-cyclohexylpiperidin-4-yl)-3-oxo-1H-indazole-4-carboxamide?
2-(1-cyclohexylpiperidin-4-yl)-3-oxo-1H-indazole-4-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylpiperidin-4-yl)-3-oxo-1H-indazole-4-carboxamide is sourced from PubChem (CID 71239676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).