2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide

C12H21F3N4O2 — CID 75443708

IUPAC2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CN1CCN(CC(F)(F)F)CC1(C)C
InChIInChI=1S/C12H21F3N4O2/c1-11(2)7-18(8-12(13,14)15)4-5-19(11)6-9(20)17-10(21)16-3/h4-8H2,1-3H3,(H2,16,17,20,21)
InChIKeyUKQPDOYUMZBUAN-UHFFFAOYSA-N
MW310.32 g/mol
LogP0.40
Rot. Bonds3

About 2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide

2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide (PubChem CID 75443708) has the molecular formula C12H21F3N4O2 and a molecular weight of 310.32 g/mol. Its IUPAC name is 2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide
PubChem CID75443708
Molecular FormulaC12H21F3N4O2
Molecular Weight310.32 g/mol
Exact Mass310.16
IUPAC Name2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CN1CCN(CC(F)(F)F)CC1(C)C
InChIInChI=1S/C12H21F3N4O2/c1-11(2)7-18(8-12(13,14)15)4-5-19(11)6-9(20)17-10(21)16-3/h4-8H2,1-3H3,(H2,16,17,20,21)
InChIKeyUKQPDOYUMZBUAN-UHFFFAOYSA-N
XLogP0.40
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide?
The IUPAC name of 2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide (CID 75443708) is 2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide.
What is the SMILES notation for 2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide?
The canonical SMILES for 2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide is CNC(=O)NC(=O)CN1CCN(CC(F)(F)F)CC1(C)C.
What is the InChIKey of 2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide?
The InChIKey is UKQPDOYUMZBUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N4O2/c1-11(2)7-18(8-12(13,14)15)4-5-19(11)6-9(20)17-10(21)16-3/h4-8H2,1-3H3,(H2,16,17,20,21).
What are the key properties of 2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide?
2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide has a molecular weight of 310.32 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide is sourced from PubChem (CID 75443708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).