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

C22H21F3N4O3 — CID 117073770

IUPAC1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]-N-(1H-indazol-5-yl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc2[nH]ncc2c1)C1CCCN(C(=O)C(O)c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C22H21F3N4O3/c23-22(24,25)16-5-3-13(4-6-16)19(30)21(32)29-9-1-2-14(12-29)20(31)27-17-7-8-18-15(10-17)11-26-28-18/h3-8,10-11,14,19,30H,1-2,9,12H2,(H,26,28)(H,27,31)
InChIKeyUNDWWCZIQAKHRO-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-3-carboxamide

1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]-N-(1H-indazol-5-yl)piperidine-3-carboxamide (PubChem CID 117073770) 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-3-carboxamide.

Molecular Properties

Compound Name1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]-N-(1H-indazol-5-yl)piperidine-3-carboxamide
PubChem CID117073770
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-3-carboxamide
SMILESO=C(Nc1ccc2[nH]ncc2c1)C1CCCN(C(=O)C(O)c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C22H21F3N4O3/c23-22(24,25)16-5-3-13(4-6-16)19(30)21(32)29-9-1-2-14(12-29)20(31)27-17-7-8-18-15(10-17)11-26-28-18/h3-8,10-11,14,19,30H,1-2,9,12H2,(H,26,28)(H,27,31)
InChIKeyUNDWWCZIQAKHRO-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-3-carboxamide?
The IUPAC name of 1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]-N-(1H-indazol-5-yl)piperidine-3-carboxamide (CID 117073770) is 1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]-N-(1H-indazol-5-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]-N-(1H-indazol-5-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]-N-(1H-indazol-5-yl)piperidine-3-carboxamide is O=C(Nc1ccc2[nH]ncc2c1)C1CCCN(C(=O)C(O)c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]-N-(1H-indazol-5-yl)piperidine-3-carboxamide?
The InChIKey is UNDWWCZIQAKHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O3/c23-22(24,25)16-5-3-13(4-6-16)19(30)21(32)29-9-1-2-14(12-29)20(31)27-17-7-8-18-15(10-17)11-26-28-18/h3-8,10-11,14,19,30H,1-2,9,12H2,(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-3-carboxamide?
1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]-N-(1H-indazol-5-yl)piperidine-3-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-3-carboxamide is sourced from PubChem (CID 117073770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).