N-ethyl-2-[4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazin-1-yl]acetamide

C12H21F3N4O2 — CID 78924430

IUPACN-ethyl-2-[4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazin-1-yl]acetamide
SMILESCCNC(=O)CN1CCN(C(=O)CNCC(F)(F)F)CC1
InChIInChI=1S/C12H21F3N4O2/c1-2-17-10(20)8-18-3-5-19(6-4-18)11(21)7-16-9-12(13,14)15/h16H,2-9H2,1H3,(H,17,20)
InChIKeyMLISOVVWNWSHEB-UHFFFAOYSA-N
MW310.32 g/mol
LogP-0.58
Rot. Bonds6

About N-ethyl-2-[4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazin-1-yl]acetamide

N-ethyl-2-[4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazin-1-yl]acetamide (PubChem CID 78924430) has the molecular formula C12H21F3N4O2 and a molecular weight of 310.32 g/mol. Its IUPAC name is N-ethyl-2-[4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazin-1-yl]acetamide
PubChem CID78924430
Molecular FormulaC12H21F3N4O2
Molecular Weight310.32 g/mol
Exact Mass310.16
IUPAC NameN-ethyl-2-[4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazin-1-yl]acetamide
SMILESCCNC(=O)CN1CCN(C(=O)CNCC(F)(F)F)CC1
InChIInChI=1S/C12H21F3N4O2/c1-2-17-10(20)8-18-3-5-19(6-4-18)11(21)7-16-9-12(13,14)15/h16H,2-9H2,1H3,(H,17,20)
InChIKeyMLISOVVWNWSHEB-UHFFFAOYSA-N
XLogP-0.58
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[4-[3-(ethylamino)propanoyl]piperazin-1-yl]acetamide
CID 62834367
N-ethyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 28595910
ethyl 4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-1-carboxylate
CID 78914960
1-[4-[2-(2,2,2-trifluoroethylamino)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 78958458
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 79261520
2-[4-(4-chlorobutanoyl)piperazin-1-yl]-N-ethylacetamide
CID 63307721
1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone
CID 28595912
N-ethyl-2-[4-[3-(ethylamino)butanoyl]piperazin-1-yl]acetamide
CID 62837069
1-piperidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone
CID 28596000
N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 113235197
2-[4-(2-anilinoacetyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride
CID 119843992
2-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]-N-ethylacetamide
CID 54995847

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-ethyl-2-[4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazin-1-yl]acetamide (CID 78924430) is N-ethyl-2-[4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-ethyl-2-[4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazin-1-yl]acetamide is CCNC(=O)CN1CCN(C(=O)CNCC(F)(F)F)CC1.
What is the InChIKey of N-ethyl-2-[4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazin-1-yl]acetamide?
The InChIKey is MLISOVVWNWSHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N4O2/c1-2-17-10(20)8-18-3-5-19(6-4-18)11(21)7-16-9-12(13,14)15/h16H,2-9H2,1H3,(H,17,20).
What are the key properties of N-ethyl-2-[4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazin-1-yl]acetamide?
N-ethyl-2-[4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazin-1-yl]acetamide has a molecular weight of 310.32 g/mol, XLogP of -0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 78924430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).