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

C20H19F3N4O3 — CID 11339153

IUPAC4-hydroxy-N-(1H-indazol-3-yl)-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1n[nH]c2ccccc12)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C20H19F3N4O3/c21-20(22,23)30-14-5-3-4-13(12-14)19(29)8-10-27(11-9-19)18(28)24-17-15-6-1-2-7-16(15)25-26-17/h1-7,12,29H,8-11H2,(H2,24,25,26,28)
InChIKeyQGXKTDQQOXZTAM-UHFFFAOYSA-N
MW420.39 g/mol
LogP3.98
Rot. Bonds3

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

4-hydroxy-N-(1H-indazol-3-yl)-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide (PubChem CID 11339153) has the molecular formula C20H19F3N4O3 and a molecular weight of 420.39 g/mol. Its IUPAC name is 4-hydroxy-N-(1H-indazol-3-yl)-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(1H-indazol-3-yl)-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
PubChem CID11339153
Molecular FormulaC20H19F3N4O3
Molecular Weight420.39 g/mol
Exact Mass420.14
IUPAC Name4-hydroxy-N-(1H-indazol-3-yl)-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1n[nH]c2ccccc12)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C20H19F3N4O3/c21-20(22,23)30-14-5-3-4-13(12-14)19(29)8-10-27(11-9-19)18(28)24-17-15-6-1-2-7-16(15)25-26-17/h1-7,12,29H,8-11H2,(H2,24,25,26,28)
InChIKeyQGXKTDQQOXZTAM-UHFFFAOYSA-N
XLogP3.98
TPSA90.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.39
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(1H-indazol-3-yl)-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-hydroxy-N-(1H-indazol-3-yl)-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide (CID 11339153) is 4-hydroxy-N-(1H-indazol-3-yl)-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(1H-indazol-3-yl)-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-hydroxy-N-(1H-indazol-3-yl)-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide is O=C(Nc1n[nH]c2ccccc12)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1.
What is the InChIKey of 4-hydroxy-N-(1H-indazol-3-yl)-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
The InChIKey is QGXKTDQQOXZTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O3/c21-20(22,23)30-14-5-3-4-13(12-14)19(29)8-10-27(11-9-19)18(28)24-17-15-6-1-2-7-16(15)25-26-17/h1-7,12,29H,8-11H2,(H2,24,25,26,28).
What are the key properties of 4-hydroxy-N-(1H-indazol-3-yl)-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
4-hydroxy-N-(1H-indazol-3-yl)-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide has a molecular weight of 420.39 g/mol, XLogP of 3.98, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(1H-indazol-3-yl)-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 11339153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).