N-(1H-indazol-6-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

C15H15F3N4O2 — CID 110731200

IUPACN-(1H-indazol-6-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc2cn[nH]c2c1)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C15H15F3N4O2/c16-15(17,18)14(24)22-5-3-9(4-6-22)13(23)20-11-2-1-10-8-19-21-12(10)7-11/h1-2,7-9H,3-6H2,(H,19,21)(H,20,23)
InChIKeyAMASMJYLEICKMQ-UHFFFAOYSA-N
MW340.31 g/mol
LogP2.30
Rot. Bonds2

About N-(1H-indazol-6-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

N-(1H-indazol-6-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (PubChem CID 110731200) has the molecular formula C15H15F3N4O2 and a molecular weight of 340.31 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
PubChem CID110731200
Molecular FormulaC15H15F3N4O2
Molecular Weight340.31 g/mol
Exact Mass340.11
IUPAC NameN-(1H-indazol-6-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc2cn[nH]c2c1)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C15H15F3N4O2/c16-15(17,18)14(24)22-5-3-9(4-6-22)13(23)20-11-2-1-10-8-19-21-12(10)7-11/h1-2,7-9H,3-6H2,(H,19,21)(H,20,23)
InChIKeyAMASMJYLEICKMQ-UHFFFAOYSA-N
XLogP2.30
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-indol-5-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110730749
(3R)-N-(1H-indazol-6-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 124627006
(3R)-N-(1H-indazol-6-yl)piperidine-3-carboxamide
CID 81124265
N-(3-chloro-4-methylphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110344122
N-(1H-indazol-5-yl)-1-(pyridine-4-carbonyl)pyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 117072879
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110344159
1-(2,2,2-trifluoroacetyl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 110344139
1-[2-amino-2-(4-bromophenyl)acetyl]-N-(1H-indazol-5-yl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 117073061
1,1,1,3,3,3-hexafluoropropan-2-yl 4-(1H-indazol-6-ylcarbamoylamino)piperidine-1-carboxylate
CID 89480646
N-(1H-indazol-6-yl)bicyclo[4.1.0]heptane-7-carboxamide
CID 136529699
1-[(2S)-2-hydroxy-3-methylbutanoyl]-N-(1H-indazol-5-yl)piperidine-4-carboxamide
CID 117073818
N-(1H-indazol-5-yl)-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 117072877

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The IUPAC name of N-(1H-indazol-6-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (CID 110731200) is N-(1H-indazol-6-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1H-indazol-6-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-(1H-indazol-6-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is O=C(Nc1ccc2cn[nH]c2c1)C1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of N-(1H-indazol-6-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The InChIKey is AMASMJYLEICKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O2/c16-15(17,18)14(24)22-5-3-9(4-6-22)13(23)20-11-2-1-10-8-19-21-12(10)7-11/h1-2,7-9H,3-6H2,(H,19,21)(H,20,23).
What are the key properties of N-(1H-indazol-6-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
N-(1H-indazol-6-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide has a molecular weight of 340.31 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 110731200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).