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

C21H29F3N4O3 — CID 24791620

IUPACN-methyl-N-(2-morpholin-4-ylethyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
SMILESCN(CCN1CCOCC1)C(=O)CC1C(=O)NCCN1Cc1ccccc1C(F)(F)F
InChIInChI=1S/C21H29F3N4O3/c1-26(8-9-27-10-12-31-13-11-27)19(29)14-18-20(30)25-6-7-28(18)15-16-4-2-3-5-17(16)21(22,23)24/h2-5,18H,6-15H2,1H3,(H,25,30)
InChIKeySDVRWXIRNSTRAY-UHFFFAOYSA-N
MW442.48 g/mol
LogP1.19
Rot. Bonds7

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

N-methyl-N-(2-morpholin-4-ylethyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide (PubChem CID 24791620) has the molecular formula C21H29F3N4O3 and a molecular weight of 442.48 g/mol. Its IUPAC name is N-methyl-N-(2-morpholin-4-ylethyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-(2-morpholin-4-ylethyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
PubChem CID24791620
Molecular FormulaC21H29F3N4O3
Molecular Weight442.48 g/mol
Exact Mass442.22
IUPAC NameN-methyl-N-(2-morpholin-4-ylethyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
SMILESCN(CCN1CCOCC1)C(=O)CC1C(=O)NCCN1Cc1ccccc1C(F)(F)F
InChIInChI=1S/C21H29F3N4O3/c1-26(8-9-27-10-12-31-13-11-27)19(29)14-18-20(30)25-6-7-28(18)15-16-4-2-3-5-17(16)21(22,23)24/h2-5,18H,6-15H2,1H3,(H,25,30)
InChIKeySDVRWXIRNSTRAY-UHFFFAOYSA-N
XLogP1.19
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-morpholin-4-ylethyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide?
The IUPAC name of N-methyl-N-(2-morpholin-4-ylethyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide (CID 24791620) is N-methyl-N-(2-morpholin-4-ylethyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide.
What is the SMILES notation for N-methyl-N-(2-morpholin-4-ylethyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide?
The canonical SMILES for N-methyl-N-(2-morpholin-4-ylethyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide is CN(CCN1CCOCC1)C(=O)CC1C(=O)NCCN1Cc1ccccc1C(F)(F)F.
What is the InChIKey of N-methyl-N-(2-morpholin-4-ylethyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide?
The InChIKey is SDVRWXIRNSTRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29F3N4O3/c1-26(8-9-27-10-12-31-13-11-27)19(29)14-18-20(30)25-6-7-28(18)15-16-4-2-3-5-17(16)21(22,23)24/h2-5,18H,6-15H2,1H3,(H,25,30).
What are the key properties of N-methyl-N-(2-morpholin-4-ylethyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide?
N-methyl-N-(2-morpholin-4-ylethyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide has a molecular weight of 442.48 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-morpholin-4-ylethyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide is sourced from PubChem (CID 24791620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).