N-methyl-N-(2-piperazin-1-ylethyl)acetamide;bis(2,2,2-trifluoroacetic acid)

C13H21F6N3O5 — CID 89106919

IUPACN-methyl-N-(2-piperazin-1-ylethyl)acetamide;bis(2,2,2-trifluoroacetic acid)
SMILESCC(=O)N(C)CCN1CCNCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C9H19N3O.2C2HF3O2/c1-9(13)11(2)7-8-12-5-3-10-4-6-12;2*3-2(4,5)1(6)7/h10H,3-8H2,1-2H3;2*(H,6,7)
InChIKeyOKCSBVPWRYTZNV-UHFFFAOYSA-N
MW413.32 g/mol
LogP0.64
Rot. Bonds3

About N-methyl-N-(2-piperazin-1-ylethyl)acetamide;bis(2,2,2-trifluoroacetic acid)

N-methyl-N-(2-piperazin-1-ylethyl)acetamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 89106919) has the molecular formula C13H21F6N3O5 and a molecular weight of 413.32 g/mol. Its IUPAC name is N-methyl-N-(2-piperazin-1-ylethyl)acetamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound NameN-methyl-N-(2-piperazin-1-ylethyl)acetamide;bis(2,2,2-trifluoroacetic acid)
PubChem CID89106919
Molecular FormulaC13H21F6N3O5
Molecular Weight413.32 g/mol
Exact Mass413.14
IUPAC NameN-methyl-N-(2-piperazin-1-ylethyl)acetamide;bis(2,2,2-trifluoroacetic acid)
SMILESCC(=O)N(C)CCN1CCNCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C9H19N3O.2C2HF3O2/c1-9(13)11(2)7-8-12-5-3-10-4-6-12;2*3-2(4,5)1(6)7/h10H,3-8H2,1-2H3;2*(H,6,7)
InChIKeyOKCSBVPWRYTZNV-UHFFFAOYSA-N
XLogP0.64
TPSA110.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.32
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-(2-piperazin-1-ylethyl)acetamide;bis(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

Related Compounds

2,2-Dimethyl-1-(piperazin-1-yl)propan-1-one; trifluoroacetic acid
CID 154577427
2,2,2-trifluoroacetic acid; 2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethyl]acetamide
CID 388777
1-Methylpiperazine-2,6-dione; trifluoroacetic acid
CID 75481233
Tert-butyl piperazine-1-carboxylate;2,2,2-trifluoroacetic acid
CID 17811390
N-methylpiperazine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 17811983
1-Piperazin-1-ylethanone;2,2,2-trifluoroacetic acid
CID 21836546
Ethylazanium;piperazin-1-ium;2,2,2-trifluoroacetate
CID 22346451
Bis(2,2,2-trifluoroacetic acid);1,2,6-trimethylpiperazine
CID 22460992
1-(2-Fluoroethyl)-2-oxopiperazine trifluoroacetate
CID 22716476
1-(2,2-Dimethylpropyl)piperazine;2,2,2-trifluoroacetic acid
CID 23078986
2,2,2-trifluoroacetic acid;2,2,2-trifluoro-N-[2-(methylamino)ethyl]acetamide
CID 44769606
1-Methylpiperazin-2-one trifluoroacetate
CID 46737077

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-piperazin-1-ylethyl)acetamide;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of N-methyl-N-(2-piperazin-1-ylethyl)acetamide;bis(2,2,2-trifluoroacetic acid) (CID 89106919) is N-methyl-N-(2-piperazin-1-ylethyl)acetamide;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for N-methyl-N-(2-piperazin-1-ylethyl)acetamide;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for N-methyl-N-(2-piperazin-1-ylethyl)acetamide;bis(2,2,2-trifluoroacetic acid) is CC(=O)N(C)CCN1CCNCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of N-methyl-N-(2-piperazin-1-ylethyl)acetamide;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is OKCSBVPWRYTZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O.2C2HF3O2/c1-9(13)11(2)7-8-12-5-3-10-4-6-12;2*3-2(4,5)1(6)7/h10H,3-8H2,1-2H3;2*(H,6,7).
What are the key properties of N-methyl-N-(2-piperazin-1-ylethyl)acetamide;bis(2,2,2-trifluoroacetic acid)?
N-methyl-N-(2-piperazin-1-ylethyl)acetamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 413.32 g/mol, XLogP of 0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-piperazin-1-ylethyl)acetamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 89106919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).