4-[2-chloro-5-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide

C20H18ClF3N4O2 — CID 11201470

IUPAC4-[2-chloro-5-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
SMILESO=C(Nc1n[nH]c2ccccc12)N1CCC(O)(c2cc(C(F)(F)F)ccc2Cl)CC1
InChIInChI=1S/C20H18ClF3N4O2/c21-15-6-5-12(20(22,23)24)11-14(15)19(30)7-9-28(10-8-19)18(29)25-17-13-3-1-2-4-16(13)26-27-17/h1-6,11,30H,7-10H2,(H2,25,26,27,29)
InChIKeyTUADROFICSEEJA-UHFFFAOYSA-N
MW438.84 g/mol
LogP4.75
Rot. Bonds2

About 4-[2-chloro-5-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide

4-[2-chloro-5-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide (PubChem CID 11201470) has the molecular formula C20H18ClF3N4O2 and a molecular weight of 438.84 g/mol. Its IUPAC name is 4-[2-chloro-5-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-chloro-5-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
PubChem CID11201470
Molecular FormulaC20H18ClF3N4O2
Molecular Weight438.84 g/mol
Exact Mass438.11
IUPAC Name4-[2-chloro-5-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
SMILESO=C(Nc1n[nH]c2ccccc12)N1CCC(O)(c2cc(C(F)(F)F)ccc2Cl)CC1
InChIInChI=1S/C20H18ClF3N4O2/c21-15-6-5-12(20(22,23)24)11-14(15)19(30)7-9-28(10-8-19)18(29)25-17-13-3-1-2-4-16(13)26-27-17/h1-6,11,30H,7-10H2,(H2,25,26,27,29)
InChIKeyTUADROFICSEEJA-UHFFFAOYSA-N
XLogP4.75
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.84
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-5-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of 4-[2-chloro-5-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide (CID 11201470) is 4-[2-chloro-5-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[2-chloro-5-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-[2-chloro-5-(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)ccc2Cl)CC1.
What is the InChIKey of 4-[2-chloro-5-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide?
The InChIKey is TUADROFICSEEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF3N4O2/c21-15-6-5-12(20(22,23)24)11-14(15)19(30)7-9-28(10-8-19)18(29)25-17-13-3-1-2-4-16(13)26-27-17/h1-6,11,30H,7-10H2,(H2,25,26,27,29).
What are the key properties of 4-[2-chloro-5-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide?
4-[2-chloro-5-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide has a molecular weight of 438.84 g/mol, XLogP of 4.75, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-5-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 11201470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).