N-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide

C20H19F3N4O — CID 58926881

IUPACN-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1n[nH]c2ccccc12)N1CCC(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H19F3N4O/c21-20(22,23)15-5-3-4-14(12-15)13-8-10-27(11-9-13)19(28)24-18-16-6-1-2-7-17(16)25-26-18/h1-7,12-13H,8-11H2,(H2,24,25,26,28)
InChIKeyFBTBEEBMHSBGPB-UHFFFAOYSA-N
MW388.39 g/mol
LogP4.99
Rot. Bonds2

About N-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide

N-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 58926881) has the molecular formula C20H19F3N4O and a molecular weight of 388.39 g/mol. Its IUPAC name is N-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID58926881
Molecular FormulaC20H19F3N4O
Molecular Weight388.39 g/mol
Exact Mass388.15
IUPAC NameN-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1n[nH]c2ccccc12)N1CCC(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H19F3N4O/c21-20(22,23)15-5-3-4-14(12-15)13-8-10-27(11-9-13)19(28)24-18-16-6-1-2-7-17(16)25-26-18/h1-7,12-13H,8-11H2,(H2,24,25,26,28)
InChIKeyFBTBEEBMHSBGPB-UHFFFAOYSA-N
XLogP4.99
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Linifanib
CID 11485656
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CID 6539551
N-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)-N'-phenylurea
CID 6538887
1-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)-3-ethylurea
CID 6538886
1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
CID 11154134
1-(4-(3-amino-7-((4-methylpiperazin-1-yl)methyl)-1H-indazol-4-yl)phenyl)-3-m-tolylurea
CID 11178869
1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-phenylurea
CID 11244819
1-(4-(3-amino-7-fluoro-1H-indazol-4-yl)phenyl)-3-m-tolylurea
CID 11245809
1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-(3-ethylphenyl)urea
CID 11268741
1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-m-tolylurea
CID 11314310
1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-cyclopentylurea
CID 11404903
1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-(2-fluoro-5-(trifluoromethyl)phenyl)urea
CID 11407736

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of N-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 58926881) is N-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for N-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide is O=C(Nc1n[nH]c2ccccc12)N1CCC(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is FBTBEEBMHSBGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O/c21-20(22,23)15-5-3-4-14(12-15)13-8-10-27(11-9-13)19(28)24-18-16-6-1-2-7-17(16)25-26-18/h1-7,12-13H,8-11H2,(H2,24,25,26,28).
What are the key properties of N-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
N-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 388.39 g/mol, XLogP of 4.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 58926881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).