N-methyl-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide

C9H16F3N3O — CID 60890625

IUPACN-methyl-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)CN1CCNCC1
InChIInChI=1S/C9H16F3N3O/c1-14(7-9(10,11)12)8(16)6-15-4-2-13-3-5-15/h13H,2-7H2,1H3
InChIKeyUVDXOLBXURYOEH-UHFFFAOYSA-N
MW239.24 g/mol
LogP-0.09
Rot. Bonds3

About N-methyl-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide

N-methyl-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60890625) has the molecular formula C9H16F3N3O and a molecular weight of 239.24 g/mol. Its IUPAC name is N-methyl-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60890625
Molecular FormulaC9H16F3N3O
Molecular Weight239.24 g/mol
Exact Mass239.12
IUPAC NameN-methyl-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)CN1CCNCC1
InChIInChI=1S/C9H16F3N3O/c1-14(7-9(10,11)12)8(16)6-15-4-2-13-3-5-15/h13H,2-7H2,1H3
InChIKeyUVDXOLBXURYOEH-UHFFFAOYSA-N
XLogP-0.09
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-methyl-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide (CID 60890625) is N-methyl-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-methyl-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-methyl-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide is CN(CC(F)(F)F)C(=O)CN1CCNCC1.
What is the InChIKey of N-methyl-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is UVDXOLBXURYOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O/c1-14(7-9(10,11)12)8(16)6-15-4-2-13-3-5-15/h13H,2-7H2,1H3.
What are the key properties of N-methyl-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide?
N-methyl-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 239.24 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60890625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).