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

C22H33F3N4O2 — CID 55409622

IUPACN-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
SMILESCC(C)CN1CCOC(CNC(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1
InChIInChI=1S/C22H33F3N4O2/c1-17(2)14-28-10-11-31-20(15-28)13-26-21(30)16-27-6-8-29(9-7-27)19-5-3-4-18(12-19)22(23,24)25/h3-5,12,17,20H,6-11,13-16H2,1-2H3,(H,26,30)
InChIKeyLVHLOSRHKACKAG-UHFFFAOYSA-N
MW442.53 g/mol
LogP2.30
Rot. Bonds7

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

N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide (PubChem CID 55409622) has the molecular formula C22H33F3N4O2 and a molecular weight of 442.53 g/mol. Its IUPAC name is N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
PubChem CID55409622
Molecular FormulaC22H33F3N4O2
Molecular Weight442.53 g/mol
Exact Mass442.26
IUPAC NameN-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
SMILESCC(C)CN1CCOC(CNC(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1
InChIInChI=1S/C22H33F3N4O2/c1-17(2)14-28-10-11-31-20(15-28)13-26-21(30)16-27-6-8-29(9-7-27)19-5-3-4-18(12-19)22(23,24)25/h3-5,12,17,20H,6-11,13-16H2,1-2H3,(H,26,30)
InChIKeyLVHLOSRHKACKAG-UHFFFAOYSA-N
XLogP2.30
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.53
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 43051952
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[2-methyl-4-(trifluoromethyl)phenoxy]acetamide
CID 100672511
(2S)-2-(diethylamino)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 95769157
2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 55648984
2,6-difluoro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 39485652
N-(2-methyl-4-oxopentan-3-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 51111743
N-(1-phenylethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 22199208
N-cyclopentyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 6466202
1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119903899
N-[2-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 22199190
2-methyl-N-[1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]piperidin-4-yl]benzamide
CID 55849752
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenylsulfanylacetamide
CID 78812434

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide (CID 55409622) is N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide is CC(C)CN1CCOC(CNC(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1.
What is the InChIKey of N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
The InChIKey is LVHLOSRHKACKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33F3N4O2/c1-17(2)14-28-10-11-31-20(15-28)13-26-21(30)16-27-6-8-29(9-7-27)19-5-3-4-18(12-19)22(23,24)25/h3-5,12,17,20H,6-11,13-16H2,1-2H3,(H,26,30).
What are the key properties of N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide has a molecular weight of 442.53 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 55409622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).