(3R)-N-(1H-indazol-6-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C15H17F3N4O — CID 124627006

IUPAC(3R)-N-(1H-indazol-6-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc2cn[nH]c2c1)[C@@H]1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C15H17F3N4O/c16-15(17,18)9-22-5-1-2-11(8-22)14(23)20-12-4-3-10-7-19-21-13(10)6-12/h3-4,6-7,11H,1-2,5,8-9H2,(H,19,21)(H,20,23)/t11-/m1/s1
InChIKeyZQIAHDTZYCICRY-LLVKDONJSA-N
MW326.32 g/mol
LogP2.78
Rot. Bonds3

About (3R)-N-(1H-indazol-6-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

(3R)-N-(1H-indazol-6-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 124627006) has the molecular formula C15H17F3N4O and a molecular weight of 326.32 g/mol. Its IUPAC name is (3R)-N-(1H-indazol-6-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(1H-indazol-6-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID124627006
Molecular FormulaC15H17F3N4O
Molecular Weight326.32 g/mol
Exact Mass326.14
IUPAC Name(3R)-N-(1H-indazol-6-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc2cn[nH]c2c1)[C@@H]1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C15H17F3N4O/c16-15(17,18)9-22-5-1-2-11(8-22)14(23)20-12-4-3-10-7-19-21-13(10)6-12/h3-4,6-7,11H,1-2,5,8-9H2,(H,19,21)(H,20,23)/t11-/m1/s1
InChIKeyZQIAHDTZYCICRY-LLVKDONJSA-N
XLogP2.78
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(1H-indazol-6-yl)piperidine-3-carboxamide
CID 84564198
N-(1H-indazol-6-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110731200
N-(3,4-dicyanophenyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 75497020
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 75405098
(3R)-N-(1H-indazol-6-yl)piperidine-3-carboxamide
CID 81124265
(3R)-N-(3-fluoro-4-nitrophenyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97149101
N-(1H-indazol-6-yl)-2-piperidin-1-ylacetamide
CID 4205198
1-(6-imidazol-1-ylpyridazin-3-yl)-N-(1H-indazol-6-yl)piperidine-3-carboxamide
CID 52993035
N-(1H-indazol-6-yl)bicyclo[4.1.0]heptane-7-carboxamide
CID 136529699
1-cyclohexyl-N-(1H-indazol-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 110678542
N-(6-cyclopropyl-2-methylpyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 127722832
N-(1H-indazol-6-yl)-3-methylpiperidine-2-carboxamide
CID 107067459

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1H-indazol-6-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(1H-indazol-6-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 124627006) is (3R)-N-(1H-indazol-6-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(1H-indazol-6-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(1H-indazol-6-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is O=C(Nc1ccc2cn[nH]c2c1)[C@@H]1CCCN(CC(F)(F)F)C1.
What is the InChIKey of (3R)-N-(1H-indazol-6-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is ZQIAHDTZYCICRY-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17F3N4O/c16-15(17,18)9-22-5-1-2-11(8-22)14(23)20-12-4-3-10-7-19-21-13(10)6-12/h3-4,6-7,11H,1-2,5,8-9H2,(H,19,21)(H,20,23)/t11-/m1/s1.
What are the key properties of (3R)-N-(1H-indazol-6-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
(3R)-N-(1H-indazol-6-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 326.32 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1H-indazol-6-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 124627006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).