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

C21H24N4O2 — CID 71239682

IUPAC2-(1-benzylpiperidin-4-yl)-1-methyl-3-oxoindazole-4-carboxamide
SMILESCn1c2cccc(C(N)=O)c2c(=O)n1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H24N4O2/c1-23-18-9-5-8-17(20(22)26)19(18)21(27)25(23)16-10-12-24(13-11-16)14-15-6-3-2-4-7-15/h2-9,16H,10-14H2,1H3,(H2,22,26)
InChIKeyUUQRRSAKFTVLLN-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.28
Rot. Bonds4

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

2-(1-benzylpiperidin-4-yl)-1-methyl-3-oxoindazole-4-carboxamide (PubChem CID 71239682) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-(1-benzylpiperidin-4-yl)-1-methyl-3-oxoindazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-benzylpiperidin-4-yl)-1-methyl-3-oxoindazole-4-carboxamide
PubChem CID71239682
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name2-(1-benzylpiperidin-4-yl)-1-methyl-3-oxoindazole-4-carboxamide
SMILESCn1c2cccc(C(N)=O)c2c(=O)n1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H24N4O2/c1-23-18-9-5-8-17(20(22)26)19(18)21(27)25(23)16-10-12-24(13-11-16)14-15-6-3-2-4-7-15/h2-9,16H,10-14H2,1H3,(H2,22,26)
InChIKeyUUQRRSAKFTVLLN-UHFFFAOYSA-N
XLogP2.28
TPSA73.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-oxo-2-(1-pyridin-4-ylpiperidin-4-yl)indazole-4-carboxamide
CID 71240151
4-[[4-[4-(1-methylindole-3-carbonyl)carbazol-9-yl]piperidin-1-yl]methyl]benzamide
CID 162718953
1-(1-benzylpiperidin-4-yl)ethanone
CID 910923
1-acetyl-3-(1-benzylpiperidin-4-yl)-2H-quinazolin-4-one
CID 139817345
1-methyl-4-[1-[(3-methylphenyl)methyl]piperidin-4-yl]quinoxaline-2,3-dione
CID 170417729
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
1-(1-benzylpiperidin-4-yl)quinolin-2-one
CID 14969566
2-[(1-benzylpiperidin-4-yl)amino]-2-methylpropanamide
CID 61211452
1-benzylpiperidine-4-carbonyl chloride
CID 18919767
9-benzyl-5-hydroxy-7-methylcarbazole-4-carboxamide
CID 22739371
(7aS)-2-(1-benzylpiperidin-4-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
CID 46222885
ethyl 1-(1-benzylpiperidin-4-yl)piperidine-2-carboxylate
CID 2846487

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpiperidin-4-yl)-1-methyl-3-oxoindazole-4-carboxamide?
The IUPAC name of 2-(1-benzylpiperidin-4-yl)-1-methyl-3-oxoindazole-4-carboxamide (CID 71239682) is 2-(1-benzylpiperidin-4-yl)-1-methyl-3-oxoindazole-4-carboxamide.
What is the SMILES notation for 2-(1-benzylpiperidin-4-yl)-1-methyl-3-oxoindazole-4-carboxamide?
The canonical SMILES for 2-(1-benzylpiperidin-4-yl)-1-methyl-3-oxoindazole-4-carboxamide is Cn1c2cccc(C(N)=O)c2c(=O)n1C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-(1-benzylpiperidin-4-yl)-1-methyl-3-oxoindazole-4-carboxamide?
The InChIKey is UUQRRSAKFTVLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-23-18-9-5-8-17(20(22)26)19(18)21(27)25(23)16-10-12-24(13-11-16)14-15-6-3-2-4-7-15/h2-9,16H,10-14H2,1H3,(H2,22,26).
What are the key properties of 2-(1-benzylpiperidin-4-yl)-1-methyl-3-oxoindazole-4-carboxamide?
2-(1-benzylpiperidin-4-yl)-1-methyl-3-oxoindazole-4-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpiperidin-4-yl)-1-methyl-3-oxoindazole-4-carboxamide is sourced from PubChem (CID 71239682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).