2-[(1-acetylpiperidin-4-yl)-(2,3-dihydro-1-benzofuran-5-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C20H26F3N3O3 — CID 47084622

IUPAC2-[(1-acetylpiperidin-4-yl)-(2,3-dihydro-1-benzofuran-5-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(=O)N1CCC(N(CC(=O)NCC(F)(F)F)Cc2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C20H26F3N3O3/c1-14(27)25-7-4-17(5-8-25)26(12-19(28)24-13-20(21,22)23)11-15-2-3-18-16(10-15)6-9-29-18/h2-3,10,17H,4-9,11-13H2,1H3,(H,24,28)
InChIKeyXNOKJYYVHPGUPX-UHFFFAOYSA-N
MW413.44 g/mol
LogP2.11
Rot. Bonds6

About 2-[(1-acetylpiperidin-4-yl)-(2,3-dihydro-1-benzofuran-5-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(1-acetylpiperidin-4-yl)-(2,3-dihydro-1-benzofuran-5-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 47084622) has the molecular formula C20H26F3N3O3 and a molecular weight of 413.44 g/mol. Its IUPAC name is 2-[(1-acetylpiperidin-4-yl)-(2,3-dihydro-1-benzofuran-5-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(1-acetylpiperidin-4-yl)-(2,3-dihydro-1-benzofuran-5-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID47084622
Molecular FormulaC20H26F3N3O3
Molecular Weight413.44 g/mol
Exact Mass413.19
IUPAC Name2-[(1-acetylpiperidin-4-yl)-(2,3-dihydro-1-benzofuran-5-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(=O)N1CCC(N(CC(=O)NCC(F)(F)F)Cc2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C20H26F3N3O3/c1-14(27)25-7-4-17(5-8-25)26(12-19(28)24-13-20(21,22)23)11-15-2-3-18-16(10-15)6-9-29-18/h2-3,10,17H,4-9,11-13H2,1H3,(H,24,28)
InChIKeyXNOKJYYVHPGUPX-UHFFFAOYSA-N
XLogP2.11
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]-1-(4-methylpiperidin-1-yl)ethanone
CID 171323939
1-acetyl-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine-4-carboxamide
CID 110796341
N-(1-acetylpiperidin-4-yl)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetamide
CID 55446267
N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)acetamide
CID 71933671
1-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]ethanone
CID 163350132
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]acetamide
CID 60568533
[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methanol
CID 115229208
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-oxopropanamide
CID 115175685
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-sulfanylacetamide
CID 115167217
N-[(4-acetyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)methyl]-N-methylacetamide
CID 90383735
1-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110801585
2-[[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-methylamino]acetic acid
CID 119906302

Frequently Asked Questions

What is the IUPAC name of 2-[(1-acetylpiperidin-4-yl)-(2,3-dihydro-1-benzofuran-5-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(1-acetylpiperidin-4-yl)-(2,3-dihydro-1-benzofuran-5-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 47084622) is 2-[(1-acetylpiperidin-4-yl)-(2,3-dihydro-1-benzofuran-5-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(1-acetylpiperidin-4-yl)-(2,3-dihydro-1-benzofuran-5-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(1-acetylpiperidin-4-yl)-(2,3-dihydro-1-benzofuran-5-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is CC(=O)N1CCC(N(CC(=O)NCC(F)(F)F)Cc2ccc3c(c2)CCO3)CC1.
What is the InChIKey of 2-[(1-acetylpiperidin-4-yl)-(2,3-dihydro-1-benzofuran-5-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is XNOKJYYVHPGUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N3O3/c1-14(27)25-7-4-17(5-8-25)26(12-19(28)24-13-20(21,22)23)11-15-2-3-18-16(10-15)6-9-29-18/h2-3,10,17H,4-9,11-13H2,1H3,(H,24,28).
What are the key properties of 2-[(1-acetylpiperidin-4-yl)-(2,3-dihydro-1-benzofuran-5-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(1-acetylpiperidin-4-yl)-(2,3-dihydro-1-benzofuran-5-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 413.44 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-acetylpiperidin-4-yl)-(2,3-dihydro-1-benzofuran-5-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 47084622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).