5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1-benzofuran-2-carboxamide

C21H19F3N2O3 — CID 143807330

IUPAC5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1-benzofuran-2-carboxamide
SMILESNC(=O)c1cc2cc(OC3CCN(c4ccc(C(F)(F)F)cc4)CC3)ccc2o1
InChIInChI=1S/C21H19F3N2O3/c22-21(23,24)14-1-3-15(4-2-14)26-9-7-16(8-10-26)28-17-5-6-18-13(11-17)12-19(29-18)20(25)27/h1-6,11-12,16H,7-10H2,(H2,25,27)
InChIKeyIICDCYZDUIOWDD-UHFFFAOYSA-N
MW404.39 g/mol
LogP4.60
Rot. Bonds4

About 5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1-benzofuran-2-carboxamide

5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1-benzofuran-2-carboxamide (PubChem CID 143807330) has the molecular formula C21H19F3N2O3 and a molecular weight of 404.39 g/mol. Its IUPAC name is 5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1-benzofuran-2-carboxamide
PubChem CID143807330
Molecular FormulaC21H19F3N2O3
Molecular Weight404.39 g/mol
Exact Mass404.13
IUPAC Name5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1-benzofuran-2-carboxamide
SMILESNC(=O)c1cc2cc(OC3CCN(c4ccc(C(F)(F)F)cc4)CC3)ccc2o1
InChIInChI=1S/C21H19F3N2O3/c22-21(23,24)14-1-3-15(4-2-14)26-9-7-16(8-10-26)28-17-5-6-18-13(11-17)12-19(29-18)20(25)27/h1-6,11-12,16H,7-10H2,(H2,25,27)
InChIKeyIICDCYZDUIOWDD-UHFFFAOYSA-N
XLogP4.60
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-5-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 58456767
N-methyl-5-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 58456876
(3R)-1-(pyridin-3-ylmethyl)-N-[1-[5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1-benzofuran-2-yl]ethenyl]pyrrolidin-3-amine
CID 143807436
5-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-piperidin-4-yl-1-benzofuran-2-carboxamide
CID 58456844
N-cyclohexyl-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyquinoline-3-carboxamide
CID 66596089
4-[[3-methyl-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1-benzofuran-2-carbonyl]amino]piperidine-1-carboxylic acid
CID 68737854
N-(1-benzylpiperidin-4-yl)-2-chloro-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzamide
CID 24995350
4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1H-triazole-5-carboxylic acid
CID 155250318
4-[3,5-bis(trifluoromethyl)phenoxy]piperidine-1-carboxamide
CID 89332293
N-[4-[3-(4-fluorophenyl)-3-oxopropyl]cyclohexyl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1,3-benzoxazole-2-carboxamide
CID 123711132
N-[4-(cyclohexa-1,5-diene-1-carbonyl)cyclohexyl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1,3-benzoxazole-2-carboxamide
CID 162589685
[[5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-2,3-dihydro-1H-inden-1-yl]amino] piperidine-1-carboxylate
CID 152714327

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1-benzofuran-2-carboxamide?
The IUPAC name of 5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1-benzofuran-2-carboxamide (CID 143807330) is 5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1-benzofuran-2-carboxamide is NC(=O)c1cc2cc(OC3CCN(c4ccc(C(F)(F)F)cc4)CC3)ccc2o1.
What is the InChIKey of 5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1-benzofuran-2-carboxamide?
The InChIKey is IICDCYZDUIOWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O3/c22-21(23,24)14-1-3-15(4-2-14)26-9-7-16(8-10-26)28-17-5-6-18-13(11-17)12-19(29-18)20(25)27/h1-6,11-12,16H,7-10H2,(H2,25,27).
What are the key properties of 5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1-benzofuran-2-carboxamide?
5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1-benzofuran-2-carboxamide has a molecular weight of 404.39 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 143807330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).