2-(3,3-dimethyl-2-oxopiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

C10H16F3N3O2 — CID 55215753

IUPAC2-(3,3-dimethyl-2-oxopiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC1(C)NCCN(CC(=O)NCC(F)(F)F)C1=O
InChIInChI=1S/C10H16F3N3O2/c1-9(2)8(18)16(4-3-15-9)5-7(17)14-6-10(11,12)13/h15H,3-6H2,1-2H3,(H,14,17)
InChIKeyCWGCLNMYPZDTMD-UHFFFAOYSA-N
MW267.25 g/mol
LogP-0.12
Rot. Bonds3

About 2-(3,3-dimethyl-2-oxopiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(3,3-dimethyl-2-oxopiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 55215753) has the molecular formula C10H16F3N3O2 and a molecular weight of 267.25 g/mol. Its IUPAC name is 2-(3,3-dimethyl-2-oxopiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(3,3-dimethyl-2-oxopiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID55215753
Molecular FormulaC10H16F3N3O2
Molecular Weight267.25 g/mol
Exact Mass267.12
IUPAC Name2-(3,3-dimethyl-2-oxopiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC1(C)NCCN(CC(=O)NCC(F)(F)F)C1=O
InChIInChI=1S/C10H16F3N3O2/c1-9(2)8(18)16(4-3-15-9)5-7(17)14-6-10(11,12)13/h15H,3-6H2,1-2H3,(H,14,17)
InChIKeyCWGCLNMYPZDTMD-UHFFFAOYSA-N
XLogP-0.12
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyl-2-oxopiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(3,3-dimethyl-2-oxopiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 55215753) is 2-(3,3-dimethyl-2-oxopiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(3,3-dimethyl-2-oxopiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(3,3-dimethyl-2-oxopiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is CC1(C)NCCN(CC(=O)NCC(F)(F)F)C1=O.
What is the InChIKey of 2-(3,3-dimethyl-2-oxopiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is CWGCLNMYPZDTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O2/c1-9(2)8(18)16(4-3-15-9)5-7(17)14-6-10(11,12)13/h15H,3-6H2,1-2H3,(H,14,17).
What are the key properties of 2-(3,3-dimethyl-2-oxopiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(3,3-dimethyl-2-oxopiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 267.25 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyl-2-oxopiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 55215753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).