2-(1-cyclohexylpiperidin-2-yl)-1-methyl-3-oxoindazole-4-carboxamide

C20H28N4O2 — CID 123812142

IUPAC2-(1-cyclohexylpiperidin-2-yl)-1-methyl-3-oxoindazole-4-carboxamide
SMILESCn1c2cccc(C(N)=O)c2c(=O)n1C1CCCCN1C1CCCCC1
InChIInChI=1S/C20H28N4O2/c1-22-16-11-7-10-15(19(21)25)18(16)20(26)24(22)17-12-5-6-13-23(17)14-8-3-2-4-9-14/h7,10-11,14,17H,2-6,8-9,12-13H2,1H3,(H2,21,25)
InChIKeyNUOHWWZZBOOZPK-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.76
Rot. Bonds3

About 2-(1-cyclohexylpiperidin-2-yl)-1-methyl-3-oxoindazole-4-carboxamide

2-(1-cyclohexylpiperidin-2-yl)-1-methyl-3-oxoindazole-4-carboxamide (PubChem CID 123812142) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-(1-cyclohexylpiperidin-2-yl)-1-methyl-3-oxoindazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-cyclohexylpiperidin-2-yl)-1-methyl-3-oxoindazole-4-carboxamide
PubChem CID123812142
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name2-(1-cyclohexylpiperidin-2-yl)-1-methyl-3-oxoindazole-4-carboxamide
SMILESCn1c2cccc(C(N)=O)c2c(=O)n1C1CCCCN1C1CCCCC1
InChIInChI=1S/C20H28N4O2/c1-22-16-11-7-10-15(19(21)25)18(16)20(26)24(22)17-12-5-6-13-23(17)14-8-3-2-4-9-14/h7,10-11,14,17H,2-6,8-9,12-13H2,1H3,(H2,21,25)
InChIKeyNUOHWWZZBOOZPK-UHFFFAOYSA-N
XLogP2.76
TPSA73.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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ethyl 4-[1-(2-methylanilino)-3-oxo-1H-isoindol-2-yl]piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylpiperidin-2-yl)-1-methyl-3-oxoindazole-4-carboxamide?
The IUPAC name of 2-(1-cyclohexylpiperidin-2-yl)-1-methyl-3-oxoindazole-4-carboxamide (CID 123812142) is 2-(1-cyclohexylpiperidin-2-yl)-1-methyl-3-oxoindazole-4-carboxamide.
What is the SMILES notation for 2-(1-cyclohexylpiperidin-2-yl)-1-methyl-3-oxoindazole-4-carboxamide?
The canonical SMILES for 2-(1-cyclohexylpiperidin-2-yl)-1-methyl-3-oxoindazole-4-carboxamide is Cn1c2cccc(C(N)=O)c2c(=O)n1C1CCCCN1C1CCCCC1.
What is the InChIKey of 2-(1-cyclohexylpiperidin-2-yl)-1-methyl-3-oxoindazole-4-carboxamide?
The InChIKey is NUOHWWZZBOOZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-22-16-11-7-10-15(19(21)25)18(16)20(26)24(22)17-12-5-6-13-23(17)14-8-3-2-4-9-14/h7,10-11,14,17H,2-6,8-9,12-13H2,1H3,(H2,21,25).
What are the key properties of 2-(1-cyclohexylpiperidin-2-yl)-1-methyl-3-oxoindazole-4-carboxamide?
2-(1-cyclohexylpiperidin-2-yl)-1-methyl-3-oxoindazole-4-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylpiperidin-2-yl)-1-methyl-3-oxoindazole-4-carboxamide is sourced from PubChem (CID 123812142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).