2-amino-N-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]acetamide

C10H17F3N4O2 — CID 61259080

IUPAC2-amino-N-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]acetamide
SMILESNCC(=O)NCC(=O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H17F3N4O2/c11-10(12,13)7-16-1-3-17(4-2-16)9(19)6-15-8(18)5-14/h1-7,14H2,(H,15,18)
InChIKeyQBWGXHDQVNUXBG-UHFFFAOYSA-N
MW282.27 g/mol
LogP-1.23
Rot. Bonds4

About 2-amino-N-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]acetamide

2-amino-N-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]acetamide (PubChem CID 61259080) has the molecular formula C10H17F3N4O2 and a molecular weight of 282.27 g/mol. Its IUPAC name is 2-amino-N-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]acetamide
PubChem CID61259080
Molecular FormulaC10H17F3N4O2
Molecular Weight282.27 g/mol
Exact Mass282.13
IUPAC Name2-amino-N-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]acetamide
SMILESNCC(=O)NCC(=O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H17F3N4O2/c11-10(12,13)7-16-1-3-17(4-2-16)9(19)6-15-8(18)5-14/h1-7,14H2,(H,15,18)
InChIKeyQBWGXHDQVNUXBG-UHFFFAOYSA-N
XLogP-1.23
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]acetamide?
The IUPAC name of 2-amino-N-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]acetamide (CID 61259080) is 2-amino-N-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]acetamide is NCC(=O)NCC(=O)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-amino-N-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]acetamide?
The InChIKey is QBWGXHDQVNUXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4O2/c11-10(12,13)7-16-1-3-17(4-2-16)9(19)6-15-8(18)5-14/h1-7,14H2,(H,15,18).
What are the key properties of 2-amino-N-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]acetamide?
2-amino-N-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]acetamide has a molecular weight of 282.27 g/mol, XLogP of -1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 61259080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).