N-[[1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]-1H-indazole-3-carboxamide

C22H23F3N4O — CID 86968775

IUPACN-[[1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]-1H-indazole-3-carboxamide
SMILESCN1CCCC(CNC(=O)c2n[nH]c3ccccc23)C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H23F3N4O/c1-29-12-4-5-15(20(29)14-8-10-16(11-9-14)22(23,24)25)13-26-21(30)19-17-6-2-3-7-18(17)27-28-19/h2-3,6-11,15,20H,4-5,12-13H2,1H3,(H,26,30)(H,27,28)
InChIKeyFFVIDNKWCXXJJW-UHFFFAOYSA-N
MW416.45 g/mol
LogP4.39
Rot. Bonds4

About N-[[1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]-1H-indazole-3-carboxamide

N-[[1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]-1H-indazole-3-carboxamide (PubChem CID 86968775) has the molecular formula C22H23F3N4O and a molecular weight of 416.45 g/mol. Its IUPAC name is N-[[1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]-1H-indazole-3-carboxamide
PubChem CID86968775
Molecular FormulaC22H23F3N4O
Molecular Weight416.45 g/mol
Exact Mass416.18
IUPAC NameN-[[1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]-1H-indazole-3-carboxamide
SMILESCN1CCCC(CNC(=O)c2n[nH]c3ccccc23)C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H23F3N4O/c1-29-12-4-5-15(20(29)14-8-10-16(11-9-14)22(23,24)25)13-26-21(30)19-17-6-2-3-7-18(17)27-28-19/h2-3,6-11,15,20H,4-5,12-13H2,1H3,(H,26,30)(H,27,28)
InChIKeyFFVIDNKWCXXJJW-UHFFFAOYSA-N
XLogP4.39
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-N-[[(2R,3S)-1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]acetamide
CID 124890649
N-[(1-methylpiperidin-4-yl)methyl]-1H-indazole-3-carboxamide
CID 18695627
[(2S,3R)-1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methanamine
CID 98208232
2-(2-methylprop-2-enyl)-1-[[1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]guanidine
CID 111815116
N-[1-[[1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide
CID 86968774
2-methyl-1-[[1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]-3-propan-2-ylguanidine
CID 111791909
2-(cyclobutylmethyl)-1-[[1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]guanidine
CID 111815130
2-(2-methylprop-2-enyl)-1-[[1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]guanidine;hydroiodide
CID 111815115
N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-indazole-3-carboxamide
CID 18126415
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-indazole-3-carboxamide
CID 60598271
N-[[(2S,5R)-5-[2-(dimethylamino)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]-1H-indazole-3-carboxamide
CID 110134597
N-[[(2R,3R)-1-methyl-2-phenylpiperidin-3-yl]methyl]imidazo[1,2-a]pyrazine-8-carboxamide
CID 97218788

Frequently Asked Questions

What is the IUPAC name of N-[[1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[[1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]-1H-indazole-3-carboxamide (CID 86968775) is N-[[1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[[1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[[1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]-1H-indazole-3-carboxamide is CN1CCCC(CNC(=O)c2n[nH]c3ccccc23)C1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[[1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]-1H-indazole-3-carboxamide?
The InChIKey is FFVIDNKWCXXJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O/c1-29-12-4-5-15(20(29)14-8-10-16(11-9-14)22(23,24)25)13-26-21(30)19-17-6-2-3-7-18(17)27-28-19/h2-3,6-11,15,20H,4-5,12-13H2,1H3,(H,26,30)(H,27,28).
What are the key properties of N-[[1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]-1H-indazole-3-carboxamide?
N-[[1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]-1H-indazole-3-carboxamide has a molecular weight of 416.45 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 86968775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).