N-(6-methyl-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide

C16H15F3N2O3 — CID 171904032

IUPACN-(6-methyl-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
SMILESCc1ccc2c(NC(=O)C3CCC(C(F)(F)F)NC3=O)coc2c1
InChIInChI=1S/C16H15F3N2O3/c1-8-2-3-9-11(7-24-12(9)6-8)20-14(22)10-4-5-13(16(17,18)19)21-15(10)23/h2-3,6-7,10,13H,4-5H2,1H3,(H,20,22)(H,21,23)
InChIKeySBFNATLKUNUALG-UHFFFAOYSA-N
MW340.30 g/mol
LogP3.14
Rot. Bonds2

About N-(6-methyl-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide

N-(6-methyl-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide (PubChem CID 171904032) has the molecular formula C16H15F3N2O3 and a molecular weight of 340.30 g/mol. Its IUPAC name is N-(6-methyl-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
PubChem CID171904032
Molecular FormulaC16H15F3N2O3
Molecular Weight340.30 g/mol
Exact Mass340.10
IUPAC NameN-(6-methyl-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
SMILESCc1ccc2c(NC(=O)C3CCC(C(F)(F)F)NC3=O)coc2c1
InChIInChI=1S/C16H15F3N2O3/c1-8-2-3-9-11(7-24-12(9)6-8)20-14(22)10-4-5-13(16(17,18)19)21-15(10)23/h2-3,6-7,10,13H,4-5H2,1H3,(H,20,22)(H,21,23)
InChIKeySBFNATLKUNUALG-UHFFFAOYSA-N
XLogP3.14
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-(6-methyl-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-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-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171904031
N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171903990
N-(2-methoxy-5-methyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171904055
N-[(1R,4S)-4-amino-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171904115
(3R,6S)-N-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 98423363
N-[(2S)-5-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-yl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171904041
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide;hydrochloride
CID 120883933
N-[[3-(methylamino)phenyl]-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171903967
(3S,6R)-N-(4-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 39907738
2-[[2-oxo-6-(trifluoromethyl)piperidine-3-carbonyl]amino]acetic acid
CID 119350377
N-(5-methoxy-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171903765
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 112829490

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
The IUPAC name of N-(6-methyl-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide (CID 171904032) is N-(6-methyl-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(6-methyl-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
The canonical SMILES for N-(6-methyl-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide is Cc1ccc2c(NC(=O)C3CCC(C(F)(F)F)NC3=O)coc2c1.
What is the InChIKey of N-(6-methyl-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
The InChIKey is SBFNATLKUNUALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3/c1-8-2-3-9-11(7-24-12(9)6-8)20-14(22)10-4-5-13(16(17,18)19)21-15(10)23/h2-3,6-7,10,13H,4-5H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(6-methyl-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
N-(6-methyl-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide has a molecular weight of 340.30 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide is sourced from PubChem (CID 171904032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).