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

C21H21F3N4O2 — CID 11441481

IUPAC4-hydroxy-N-(1H-indazol-3-yl)-4-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESCc1ccc(C2(O)CCN(C(=O)Nc3n[nH]c4ccccc34)CC2)cc1C(F)(F)F
InChIInChI=1S/C21H21F3N4O2/c1-13-6-7-14(12-16(13)21(22,23)24)20(30)8-10-28(11-9-20)19(29)25-18-15-4-2-3-5-17(15)26-27-18/h2-7,12,30H,8-11H2,1H3,(H2,25,26,27,29)
InChIKeyKLPJPJAEWZGQBN-UHFFFAOYSA-N
MW418.42 g/mol
LogP4.41
Rot. Bonds2

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

4-hydroxy-N-(1H-indazol-3-yl)-4-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 11441481) has the molecular formula C21H21F3N4O2 and a molecular weight of 418.42 g/mol. Its IUPAC name is 4-hydroxy-N-(1H-indazol-3-yl)-4-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(1H-indazol-3-yl)-4-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID11441481
Molecular FormulaC21H21F3N4O2
Molecular Weight418.42 g/mol
Exact Mass418.16
IUPAC Name4-hydroxy-N-(1H-indazol-3-yl)-4-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESCc1ccc(C2(O)CCN(C(=O)Nc3n[nH]c4ccccc34)CC2)cc1C(F)(F)F
InChIInChI=1S/C21H21F3N4O2/c1-13-6-7-14(12-16(13)21(22,23)24)20(30)8-10-28(11-9-20)19(29)25-18-15-4-2-3-5-17(15)26-27-18/h2-7,12,30H,8-11H2,1H3,(H2,25,26,27,29)
InChIKeyKLPJPJAEWZGQBN-UHFFFAOYSA-N
XLogP4.41
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(1H-indazol-3-yl)-4-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-hydroxy-N-(1H-indazol-3-yl)-4-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 11441481) is 4-hydroxy-N-(1H-indazol-3-yl)-4-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(1H-indazol-3-yl)-4-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-hydroxy-N-(1H-indazol-3-yl)-4-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide is Cc1ccc(C2(O)CCN(C(=O)Nc3n[nH]c4ccccc34)CC2)cc1C(F)(F)F.
What is the InChIKey of 4-hydroxy-N-(1H-indazol-3-yl)-4-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is KLPJPJAEWZGQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O2/c1-13-6-7-14(12-16(13)21(22,23)24)20(30)8-10-28(11-9-20)19(29)25-18-15-4-2-3-5-17(15)26-27-18/h2-7,12,30H,8-11H2,1H3,(H2,25,26,27,29).
What are the key properties of 4-hydroxy-N-(1H-indazol-3-yl)-4-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
4-hydroxy-N-(1H-indazol-3-yl)-4-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 418.42 g/mol, XLogP of 4.41, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(1H-indazol-3-yl)-4-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 11441481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).