4-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide

C21H18F6N4O2 — CID 11155677

IUPAC4-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
SMILESO=C(Nc1n[nH]c2ccccc12)N1CCC(O)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C21H18F6N4O2/c22-20(23,24)13-9-12(10-14(11-13)21(25,26)27)19(33)5-7-31(8-6-19)18(32)28-17-15-3-1-2-4-16(15)29-30-17/h1-4,9-11,33H,5-8H2,(H2,28,29,30,32)
InChIKeyRIJJDZKKQPSGTD-UHFFFAOYSA-N
MW472.39 g/mol
LogP5.12
Rot. Bonds2

About 4-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide

4-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide (PubChem CID 11155677) has the molecular formula C21H18F6N4O2 and a molecular weight of 472.39 g/mol. Its IUPAC name is 4-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
PubChem CID11155677
Molecular FormulaC21H18F6N4O2
Molecular Weight472.39 g/mol
Exact Mass472.13
IUPAC Name4-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
SMILESO=C(Nc1n[nH]c2ccccc12)N1CCC(O)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C21H18F6N4O2/c22-20(23,24)13-9-12(10-14(11-13)21(25,26)27)19(33)5-7-31(8-6-19)18(32)28-17-15-3-1-2-4-16(15)29-30-17/h1-4,9-11,33H,5-8H2,(H2,28,29,30,32)
InChIKeyRIJJDZKKQPSGTD-UHFFFAOYSA-N
XLogP5.12
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.39
LogP ≤ 55.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Piperidine-1-carboxylic acid (6,7-difluoro-5-phenyl-1H-indazol-3-yl)amide
CID 9841627
4-hydroxy-N-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 11177159
4-cyano-N-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 11177431
4-(5-bromo-3-chloro-2-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
CID 11178839
4-[2-chloro-5-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
CID 11201470
4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxy-1-piperidinecarboxylic acid (1H-indazol-3-yl)amide
CID 11224422
4-(3-chloro-5-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
CID 11234639
4-(2,3-difluorophenyl)-N-(1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 11256735
4-(2,4-difluorophenyl)-N-(1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 11256736
4-(3-chloro-2-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
CID 11257751
4-[2-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
CID 11270150
4-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
CID 11281628

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of 4-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide (CID 11155677) is 4-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide is O=C(Nc1n[nH]c2ccccc12)N1CCC(O)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of 4-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide?
The InChIKey is RIJJDZKKQPSGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F6N4O2/c22-20(23,24)13-9-12(10-14(11-13)21(25,26)27)19(33)5-7-31(8-6-19)18(32)28-17-15-3-1-2-4-16(15)29-30-17/h1-4,9-11,33H,5-8H2,(H2,28,29,30,32).
What are the key properties of 4-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide?
4-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide has a molecular weight of 472.39 g/mol, XLogP of 5.12, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 11155677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).