N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide

C24H25F3N2O3 — CID 86955879

IUPACN-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESCN1C(=O)CCC(C(=O)NCCc2ccc3c(c2)CCO3)C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H25F3N2O3/c1-29-21(30)9-7-19(22(29)16-3-5-18(6-4-16)24(25,26)27)23(31)28-12-10-15-2-8-20-17(14-15)11-13-32-20/h2-6,8,14,19,22H,7,9-13H2,1H3,(H,28,31)
InChIKeyHUGAYGGLOKHADB-UHFFFAOYSA-N
MW446.47 g/mol
LogP3.91
Rot. Bonds5

About N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide

N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide (PubChem CID 86955879) has the molecular formula C24H25F3N2O3 and a molecular weight of 446.47 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
PubChem CID86955879
Molecular FormulaC24H25F3N2O3
Molecular Weight446.47 g/mol
Exact Mass446.18
IUPAC NameN-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESCN1C(=O)CCC(C(=O)NCCc2ccc3c(c2)CCO3)C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H25F3N2O3/c1-29-21(30)9-7-19(22(29)16-3-5-18(6-4-16)24(25,26)27)23(31)28-12-10-15-2-8-20-17(14-15)11-13-32-20/h2-6,8,14,19,22H,7,9-13H2,1H3,(H,28,31)
InChIKeyHUGAYGGLOKHADB-UHFFFAOYSA-N
XLogP3.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 136525165
N-[2-[ethyl(propan-2-yl)amino]ethyl]-1-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 86957651
1-acetyl-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine-4-carboxamide
CID 110796341
(2R,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-propylpiperidine-3-carboxamide
CID 97457717
(2S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-hydroxypropanamide
CID 99829015
(2S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
CID 97252849
[4-(ethylcarbamoyl)phenyl] 1-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxylate
CID 86960898
N-(2-aminoethyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide;hydrochloride
CID 119383801
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(hydroxymethyl)butanamide
CID 115186712
(5R,6R)-1-methyl-5-(piperazine-1-carbonyl)-6-[4-(trifluoromethyl)phenyl]piperidin-2-one
CID 124684488
(2R,3S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120932530
2-(1,3-benzodioxol-5-yl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]acetamide
CID 122136652

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide (CID 86955879) is N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide is CN1C(=O)CCC(C(=O)NCCc2ccc3c(c2)CCO3)C1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The InChIKey is HUGAYGGLOKHADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N2O3/c1-29-21(30)9-7-19(22(29)16-3-5-18(6-4-16)24(25,26)27)23(31)28-12-10-15-2-8-20-17(14-15)11-13-32-20/h2-6,8,14,19,22H,7,9-13H2,1H3,(H,28,31).
What are the key properties of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide has a molecular weight of 446.47 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 86955879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).