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

C18H24F3N3O3 — CID 45208008

IUPACN-ethyl-N-(2-hydroxyethyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
SMILESCCN(CCO)C(=O)CC1C(=O)NCCN1Cc1ccccc1C(F)(F)F
InChIInChI=1S/C18H24F3N3O3/c1-2-23(9-10-25)16(26)11-15-17(27)22-7-8-24(15)12-13-5-3-4-6-14(13)18(19,20)21/h3-6,15,25H,2,7-12H2,1H3,(H,22,27)
InChIKeyAQKYNSYJLXZDQN-UHFFFAOYSA-N
MW387.40 g/mol
LogP1.24
Rot. Bonds7

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

N-ethyl-N-(2-hydroxyethyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide (PubChem CID 45208008) has the molecular formula C18H24F3N3O3 and a molecular weight of 387.40 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
PubChem CID45208008
Molecular FormulaC18H24F3N3O3
Molecular Weight387.40 g/mol
Exact Mass387.18
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
SMILESCCN(CCO)C(=O)CC1C(=O)NCCN1Cc1ccccc1C(F)(F)F
InChIInChI=1S/C18H24F3N3O3/c1-2-23(9-10-25)16(26)11-15-17(27)22-7-8-24(15)12-13-5-3-4-6-14(13)18(19,20)21/h3-6,15,25H,2,7-12H2,1H3,(H,22,27)
InChIKeyAQKYNSYJLXZDQN-UHFFFAOYSA-N
XLogP1.24
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-[(2S)-3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
CID 95723381
N,N-bis(2-hydroxyethyl)-2-[(2R)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 95714705
N,N-diethyl-2-[(2S)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 95728099
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-[(2R)-3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
CID 42514577
N-(3-methoxypropyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
CID 45194109
N,N-diethyl-2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide
CID 56891155
N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
CID 56706429
N-(1,2-oxazol-3-ylmethyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
CID 56885196
N-ethyl-2-[3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]-N-(pyridin-4-ylmethyl)acetamide
CID 45221000
N-butyl-2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
CID 45230540
N,N-diethyl-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 95711244
2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-propylacetamide
CID 95708335

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide (CID 45208008) is N-ethyl-N-(2-hydroxyethyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide is CCN(CCO)C(=O)CC1C(=O)NCCN1Cc1ccccc1C(F)(F)F.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide?
The InChIKey is AQKYNSYJLXZDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O3/c1-2-23(9-10-25)16(26)11-15-17(27)22-7-8-24(15)12-13-5-3-4-6-14(13)18(19,20)21/h3-6,15,25H,2,7-12H2,1H3,(H,22,27).
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide?
N-ethyl-N-(2-hydroxyethyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide has a molecular weight of 387.40 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide is sourced from PubChem (CID 45208008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).