N-(2,5-dimethylphenyl)-1-(1H-indazole-3-carbonyl)piperidine-4-carboxamide

C22H24N4O2 — CID 16866425

IUPACN-(2,5-dimethylphenyl)-1-(1H-indazole-3-carbonyl)piperidine-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)C2CCN(C(=O)c3n[nH]c4ccccc34)CC2)c1
InChIInChI=1S/C22H24N4O2/c1-14-7-8-15(2)19(13-14)23-21(27)16-9-11-26(12-10-16)22(28)20-17-5-3-4-6-18(17)24-25-20/h3-8,13,16H,9-12H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyNHGOQWBJDTUNNE-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.67
Rot. Bonds3

About N-(2,5-dimethylphenyl)-1-(1H-indazole-3-carbonyl)piperidine-4-carboxamide

N-(2,5-dimethylphenyl)-1-(1H-indazole-3-carbonyl)piperidine-4-carboxamide (PubChem CID 16866425) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-1-(1H-indazole-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-1-(1H-indazole-3-carbonyl)piperidine-4-carboxamide
PubChem CID16866425
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-(2,5-dimethylphenyl)-1-(1H-indazole-3-carbonyl)piperidine-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)C2CCN(C(=O)c3n[nH]c4ccccc34)CC2)c1
InChIInChI=1S/C22H24N4O2/c1-14-7-8-15(2)19(13-14)23-21(27)16-9-11-26(12-10-16)22(28)20-17-5-3-4-6-18(17)24-25-20/h3-8,13,16H,9-12H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyNHGOQWBJDTUNNE-UHFFFAOYSA-N
XLogP3.67
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-1-(1H-indazole-3-carbonyl)piperidine-4-carboxamide
CID 16866424
1-(1H-indazole-3-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 47066202
methyl 4-[[1-(1H-indazole-3-carbonyl)piperidine-4-carbonyl]amino]benzoate
CID 16866419
N-(2,5-dimethylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 50799662
1-(1H-indazole-3-carbonyl)-N-(4-methylphenyl)piperidine-3-carboxamide
CID 121354980
[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
1H-indazol-3-yl-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]methanone
CID 70771975
methyl 1-(1H-indazole-3-carbonyl)pyrrolidine-3-carboxylate
CID 47340273
1H-indazol-3-yl-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81465787
[4-(hydroxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 54878386
1H-indazol-3-yl-(4-phenylpiperidin-1-yl)methanone
CID 143724811
N-(2,5-dimethylphenyl)piperidine-4-carboxamide
CID 18073176

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-1-(1H-indazole-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-1-(1H-indazole-3-carbonyl)piperidine-4-carboxamide (CID 16866425) is N-(2,5-dimethylphenyl)-1-(1H-indazole-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-1-(1H-indazole-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-1-(1H-indazole-3-carbonyl)piperidine-4-carboxamide is Cc1ccc(C)c(NC(=O)C2CCN(C(=O)c3n[nH]c4ccccc34)CC2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-1-(1H-indazole-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is NHGOQWBJDTUNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-14-7-8-15(2)19(13-14)23-21(27)16-9-11-26(12-10-16)22(28)20-17-5-3-4-6-18(17)24-25-20/h3-8,13,16H,9-12H2,1-2H3,(H,23,27)(H,24,25).
What are the key properties of N-(2,5-dimethylphenyl)-1-(1H-indazole-3-carbonyl)piperidine-4-carboxamide?
N-(2,5-dimethylphenyl)-1-(1H-indazole-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-1-(1H-indazole-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 16866425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).