N-methyl-N-(oxan-4-yl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide

C20H26F3N3O3 — CID 24790255

IUPACN-methyl-N-(oxan-4-yl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
SMILESCN(C(=O)CC1C(=O)NCCN1Cc1ccccc1C(F)(F)F)C1CCOCC1
InChIInChI=1S/C20H26F3N3O3/c1-25(15-6-10-29-11-7-15)18(27)12-17-19(28)24-8-9-26(17)13-14-4-2-3-5-16(14)20(21,22)23/h2-5,15,17H,6-13H2,1H3,(H,24,28)
InChIKeyBGMYMPAHDZYWJF-UHFFFAOYSA-N
MW413.44 g/mol
LogP2.03
Rot. Bonds5

About N-methyl-N-(oxan-4-yl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide

N-methyl-N-(oxan-4-yl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide (PubChem CID 24790255) has the molecular formula C20H26F3N3O3 and a molecular weight of 413.44 g/mol. Its IUPAC name is N-methyl-N-(oxan-4-yl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-yl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
PubChem CID24790255
Molecular FormulaC20H26F3N3O3
Molecular Weight413.44 g/mol
Exact Mass413.19
IUPAC NameN-methyl-N-(oxan-4-yl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
SMILESCN(C(=O)CC1C(=O)NCCN1Cc1ccccc1C(F)(F)F)C1CCOCC1
InChIInChI=1S/C20H26F3N3O3/c1-25(15-6-10-29-11-7-15)18(27)12-17-19(28)24-8-9-26(17)13-14-4-2-3-5-16(14)20(21,22)23/h2-5,15,17H,6-13H2,1H3,(H,24,28)
InChIKeyBGMYMPAHDZYWJF-UHFFFAOYSA-N
XLogP2.03
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-fluorobenzyl)-3-oxopiperazin-2-yl]-N-methyl-N-(tetrahydro-2H-pyran-4-yl)acetamide
CID 16190619
2-[1-(4-biphenylylmethyl)-3-oxo-2-piperazinyl]-N-methyl-N-(tetrahydro-2H-pyran-4-ylmethyl)acetamide
CID 16188977
2-[1-(2-chloro-6-fluorobenzyl)-3-oxo-2-piperazinyl]-N-methyl-N-(tetrahydro-2H-pyran-4-yl)acetamide
CID 24792980
N-cyclobutyl-2-[3-keto-1-[2-(trifluoromethyl)benzyl]piperazin-2-yl]acetamide
CID 24793118
N-methyl-2-[1-(2-methylbenzyl)-3-oxo-2-piperazinyl]-N-(tetrahydro-2H-pyran-4-ylmethyl)acetamide
CID 24817644
N-cyclopentyl-2-{3-oxo-1-[2-(trifluoromethyl)benzyl]-2-piperazinyl}acetamide
CID 24817667
2-[1-(3-fluorobenzyl)-3-oxo-2-piperazinyl]-N-[5-(4-morpholinyl)pentyl]acetamide
CID 24817844
N-cyclohexyl-2-[1-(3,4-difluorobenzyl)-3-oxo-2-piperazinyl]-N-methylacetamide
CID 24818914
N-cycloheptyl-2-{3-oxo-1-[2-(trifluoromethyl)benzyl]-2-piperazinyl}acetamide
CID 24819179
N-methyl-2-[1-(4-methylbenzyl)-3-oxo-2-piperazinyl]-N-(tetrahydro-2H-pyran-4-yl)acetamide
CID 24819198
(R)-4-(3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-1-(2-(trifluoromethyl)benzyl)piperazin-2-one
CID 54586434
US9815796, Example 141
CID 139268072

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-4-yl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide?
The IUPAC name of N-methyl-N-(oxan-4-yl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide (CID 24790255) is N-methyl-N-(oxan-4-yl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide.
What is the SMILES notation for N-methyl-N-(oxan-4-yl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide?
The canonical SMILES for N-methyl-N-(oxan-4-yl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide is CN(C(=O)CC1C(=O)NCCN1Cc1ccccc1C(F)(F)F)C1CCOCC1.
What is the InChIKey of N-methyl-N-(oxan-4-yl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide?
The InChIKey is BGMYMPAHDZYWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N3O3/c1-25(15-6-10-29-11-7-15)18(27)12-17-19(28)24-8-9-26(17)13-14-4-2-3-5-16(14)20(21,22)23/h2-5,15,17H,6-13H2,1H3,(H,24,28).
What are the key properties of N-methyl-N-(oxan-4-yl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide?
N-methyl-N-(oxan-4-yl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide has a molecular weight of 413.44 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-4-yl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide is sourced from PubChem (CID 24790255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).