N,N-dimethyl-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid

C10H18F3N3O3 — CID 146455413

IUPACN,N-dimethyl-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)CN1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H17N3O.C2HF3O2/c1-10(2)8(12)7-11-5-3-9-4-6-11;3-2(4,5)1(6)7/h9H,3-7H2,1-2H3;(H,6,7)
InChIKeyYIEQUEDQCNBSBP-UHFFFAOYSA-N
MW285.27 g/mol
LogP-0.39
Rot. Bonds2

About N,N-dimethyl-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid

N,N-dimethyl-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid (PubChem CID 146455413) has the molecular formula C10H18F3N3O3 and a molecular weight of 285.27 g/mol. Its IUPAC name is N,N-dimethyl-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,N-dimethyl-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid
PubChem CID146455413
Molecular FormulaC10H18F3N3O3
Molecular Weight285.27 g/mol
Exact Mass285.13
IUPAC NameN,N-dimethyl-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)CN1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H17N3O.C2HF3O2/c1-10(2)8(12)7-11-5-3-9-4-6-11;3-2(4,5)1(6)7/h9H,3-7H2,1-2H3;(H,6,7)
InChIKeyYIEQUEDQCNBSBP-UHFFFAOYSA-N
XLogP-0.39
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N,N-dimethyl-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid (CID 146455413) is N,N-dimethyl-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N,N-dimethyl-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,N-dimethyl-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid is CN(C)C(=O)CN1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid?
The InChIKey is YIEQUEDQCNBSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O.C2HF3O2/c1-10(2)8(12)7-11-5-3-9-4-6-11;3-2(4,5)1(6)7/h9H,3-7H2,1-2H3;(H,6,7).
What are the key properties of N,N-dimethyl-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid?
N,N-dimethyl-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid has a molecular weight of 285.27 g/mol, XLogP of -0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146455413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).