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

C22H21F3N4O3 — CID 117073827

IUPAC1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]-N-(1H-indazol-5-yl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc2[nH]ncc2c1)C1CCN(C(=O)C(O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C22H21F3N4O3/c23-22(24,25)16-3-1-13(2-4-16)19(30)21(32)29-9-7-14(8-10-29)20(31)27-17-5-6-18-15(11-17)12-26-28-18/h1-6,11-12,14,19,30H,7-10H2,(H,26,28)(H,27,31)
InChIKeyGZCAGAHYJGRWEU-UHFFFAOYSA-N
MW446.43 g/mol
LogP3.49
Rot. Bonds4

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

1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]-N-(1H-indazol-5-yl)piperidine-4-carboxamide (PubChem CID 117073827) has the molecular formula C22H21F3N4O3 and a molecular weight of 446.43 g/mol. Its IUPAC name is 1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]-N-(1H-indazol-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]-N-(1H-indazol-5-yl)piperidine-4-carboxamide
PubChem CID117073827
Molecular FormulaC22H21F3N4O3
Molecular Weight446.43 g/mol
Exact Mass446.16
IUPAC Name1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]-N-(1H-indazol-5-yl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc2[nH]ncc2c1)C1CCN(C(=O)C(O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C22H21F3N4O3/c23-22(24,25)16-3-1-13(2-4-16)19(30)21(32)29-9-7-14(8-10-29)20(31)27-17-5-6-18-15(11-17)12-26-28-18/h1-6,11-12,14,19,30H,7-10H2,(H,26,28)(H,27,31)
InChIKeyGZCAGAHYJGRWEU-UHFFFAOYSA-N
XLogP3.49
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.43
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]-N-(1H-indazol-5-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]-N-(1H-indazol-5-yl)piperidine-4-carboxamide (CID 117073827) is 1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]-N-(1H-indazol-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]-N-(1H-indazol-5-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]-N-(1H-indazol-5-yl)piperidine-4-carboxamide is O=C(Nc1ccc2[nH]ncc2c1)C1CCN(C(=O)C(O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]-N-(1H-indazol-5-yl)piperidine-4-carboxamide?
The InChIKey is GZCAGAHYJGRWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O3/c23-22(24,25)16-3-1-13(2-4-16)19(30)21(32)29-9-7-14(8-10-29)20(31)27-17-5-6-18-15(11-17)12-26-28-18/h1-6,11-12,14,19,30H,7-10H2,(H,26,28)(H,27,31).
What are the key properties of 1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]-N-(1H-indazol-5-yl)piperidine-4-carboxamide?
1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]-N-(1H-indazol-5-yl)piperidine-4-carboxamide has a molecular weight of 446.43 g/mol, XLogP of 3.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]-N-(1H-indazol-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 117073827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).